630-580-1088 sales@ambeed.com
Structure Search

List Search MOL Search Structure Search

0
Chemistry
Asymmetric Synthesis >>Chiral Building BlocksChiral Catalysts, Chiral Ligands and Chiral ReagentsChiral Resolution ReagentsBoronic acids/esters >>Aliphatic BoronsAromatic BoronsOther BoronsOxaborolesCatalysis Chemistry >>Achiral Crown LigandsC-H ActivationCarbon-Donor LigandsChiral Carbon LigandsChiral Crown LigandsChiral Olefin LigandsCross-CouplingCross-Coupling Using Transition Metal CatalystsDACH or Trost LigandsChemical Biology >>Conjugation Chemistry
GlycoscienceLinkers and CrosslinkersNucleic Acid ChemistryPEGylationPeptide ChemistryPhotolabile Protecting GroupHeterocyclic Building Blocks >>AcridinesAliphatic HeterocyclesAromatic HeterocyclesAzetidinesBenzimidazolesBenzisoxazolesBenzodioxansBenzofuransBenzothiazolesInorganic reagents >>Inorganic ReagentOrganic Building Blocks >>Acid AnhydridesAcyl Chlorides
AlcoholsAldehydesAliphatic Chain HydrocarbonsAliphatic Cyclic HydrocarbonsAlkenesAlkylsAlkynesOrganometallic Reagents >>Grignard ReagentsOrganoarsenicOrganobismuthOrganoboronOrganogermaniumOrganolithiumOrganomercuryOrganosiliconOrganotinSpecialty Synthesis >>Enzyme-Mediated SynthesisFluorous SynthesisIonic Liquids
Solid Supported SynthesisStains and Dyes >>Acid DyesAzoic DyesBasic DyesDirect DyesDisperse DyesDye IntermediatesMordant DyesOil DyesOther Stains and DyesSynthetic Reagents >>Acids and BasesC-C Bond FormationC-X Bond Formation (Halogen)C-X Bond Formation (Non-Halogen)Chelation and Complexation CompoundsCondensation AgentsCouplingDehydrating ReagentsFluorination Reagent
Pharmaceutical Intermediates
Analgesics >>BenzhydrocodoneBicifadineCapsaicinCelecoxibDebio-0827DexamethasoneElagolix SodiumEsketamine HydrochlorideIbuprofen SodiumAnesthetics >>CiprofolEsketamine HydrochlorideFospropofol Fospropofol DisodiumLevobupivacaine RemimazolamRemimazolam BesilateRemimazolam BesylateRopivacaineAnti-Addiction Agents >>Kakonein
Lofexidine HydrochlorideVarenicline Anti-inflammatory Agents >>ApremilastAsunaprevirATB-346 RelatedBalsalazide BaricitinibBencycloquidium BromideBudesonideCefiderocol Sulfate TosylateCeftaroline Fosamil AcetateAntibacterials >>AFN-1252 RelatedAlatrofloxacin Bedaquiline FumarateBesifloxacin BrilacidinCaspofungin AcetateCefiderocol Sulfate TosylateCefilavancinCeftaroline Fosamil
Anticonvulsants >>BrivaracetamCannabidiolEscitalopram OxalateEslicarbazepine Acetate RelatedFosphenytoinGabapentin EnacarbilJNJ-10234094LacosamideLevetiracetam RelatedAntidementia Agents >>Azeliragon RelatedDavunetideDonepezil HydrochlorideDonepezil RelatedEnsaculinFlorbetaben Flortaucipir F 18Flutemetamol IdalopirdineAntidepressants >>4-Chlorokynurenine
AgomelatineAgomelatine RelatedAllopregnanolone RelatedAmibegronAmitifadineAripiprazole RelatedBasimglurantBefloxatoneAntiemetics >>AprepitantAprepitant RelatedDolasetron RelatedDolasetron Mesylate HydrateFosaprepitant DimeglumineFosaprepitant RelatedOlanzapinePalonosetron RelatedPalonosetron HydrochlorideAntifungals >>Anidulafungin RelatedCabotegravirMore >>
Inhibitors/Agonists
ADC >>ADC AntibodyADC LinkerADC Linker with PayloadADC ToxinAntibody-Drug Conjugates (ADCs)Drug-Linker Conjugates for ADCAngiogenesis >>ALKBcr-AblBTKEGFRFAKFGFRFLT3HER2HIFAnti-infection >>3CLproAntibacterialAntibioticAntifungal
AntiparasiticAntiprotozoalAntiviralArenavirusBVDVApoptosis >>Apoptosis InducerBcl-2Bcl-6BRKc-Mycc-RETC/EBPCARDCaspaseAutophagy >>Atg4ATG4BATTECsAUTACsAutophagyBeclin1
FKBPLC3LRRK2Biochemical Reagent >>Cell Cycle >>AntifolateAPCAurora KinaseBUBCasein KinaseCdc25CDKChkCRISPR/Cas9Cytoskeleton >>ActinArp2/3 ComplexCYTHCytoplasmic DyneinDynaminFAKMore >>
Material Science
Aggregation-Induced Emission >>Other AIE BlocksTetraphenylethylene SeriesCOFs Linkers >>Aldehyde COFs LinkersAlkynyl COFs LinkersAmine COFs LinkersBoric COFs LinkersCyano COFs LinkersMultifunctional COFs linkersOther COFs linkersTriptycene SeriesElectronic Materials >>Battery MaterialsDye-Sensitized Solar Cell (DSSC) MaterialsElectronic MaterialLiquid Crystal (LC) MaterialsMolecular ConductorsOrganic Light-Emitting Diode (OLED) MaterialsOrganic Solar Cell (OPV) MaterialsOrganic Transistor (OFET) MaterialsPerovskite Solar Cell (PSC) MaterialsMagnetic Materials >>Magnetic Ionic LiquidsMagnetic MaterialMagnetic Metal Complexes
Organic Radicals Material Chemical Compounds >>Ligands for Functional Metal ComplexesLiquid Crystal (LC) Building BlocksPhthalocyanine Building BlocksPolymer and Macromolecule Semiconductor Building BlocksSmall Molecule Semiconductor Building BlocksSolubility Enhancing Reagents Supramolecular Host Materials MOF Ligands >>Carboxylic Acid MOF LigandsCarboxylic Acid Nitrogen-Containing Mixed MOF LigandsNitrogen-Containing MOF LigandsOther MOF LigandsNanomaterials >>Carbon NanomaterialsCeramic MembranesDendrimersGold NanoparticlesIron Oxide NanoparticlesMaterials by ApplicationMesoporous MaterialsMetals and Metal AlloysNano Minerals: NanoclaysOLED Materials >>Dopant
HostHTMOLED IntermediatesOther OLED related materialsOptical Materials >>Coumarin DyesCyanine and Squarylium DyesDCM DyesDipyrromethene DyesFluorescence MaterialsFluorescent ProbesHeat and Pressure Sensitive DyesNear-Infrared (NIR) DyesOrganic Non-Linear Optical (NLO) MaterialsOrganic Pigments >>Organic PigmentOther Materials >>Mateial OtherPolymer Science >>MonomersPolymer AdditivesPolymerization ReagentsPolymersResins
Contact Us
Home Cart 0 Sign in  
X
Chemistry
Organic Building Blocks
Pyrimidines
dione
Dihydrouracil
Chemistry
Organic Building Blocks
Heterocyclic Building Blocks
Pyrimidines
Amides Ketones
dione
dihydropyrimidine Pyrimidines ∩ Amides

[ CAS No. 504-07-4 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 504-07-4
Chemical Structure| 504-07-4
Chemical Structure| 504-07-4
Structure of 504-07-4 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

For Research Only 110K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 504-07-4 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 504-07-4 ]

SDS Specification
Alternatived Products of [ 504-07-4 ]

Product Details of [ 504-07-4 ]

CAS No. :504-07-4 MDL No. :MFCD00006029
Formula : C4H6N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :OIVLITBTBDPEFK-UHFFFAOYSA-N
M.W : 114.10 Pubchem ID :649
Synonyms :
5,6-Dihydrouracil;NSC 11867
Chemical Name :Dihydropyrimidine-2,4(1H,3H)-dione

Calculated chemistry of [ 504-07-4 ]

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.5
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 33.45
TPSA : 58.2 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.81 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.66
Log Po/w (XLOGP3) : -1.14
Log Po/w (WLOGP) : -1.55
Log Po/w (MLOGP) : -1.34
Log Po/w (SILICOS-IT) : 0.18
Consensus Log Po/w : -0.64

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 0.17
Solubility : 169.0 mg/ml ; 1.48 mol/l
Class : Highly soluble
Log S (Ali) : 0.41
Solubility : 293.0 mg/ml ; 2.57 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -0.81
Solubility : 17.6 mg/ml ; 0.154 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.29

Safety of [ 504-07-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 504-07-4 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 504-07-4 ]
  • Downstream synthetic route of [ 504-07-4 ]

[ 504-07-4 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 504-07-4 ]
  • [ 67-52-7 ]
Reference： [1] Zeitschrift fuer Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1982, vol. 37, # 9, p. 1184 - 1186
  • 2
  • [ 504-07-4 ]
  • [ 67-52-7 ]
  • [ 1194-23-6 ]
  • [ 66-22-8 ]
Reference： [1] Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1984, # 4, p. 601 - 608
Same Skeleton Products
Related Products
Categories
Chemistry
Heterocyclic Building Blocks
Pyrimidines
Pyrimidines ∩ Amides
Chemistry
Heterocyclic Building Blocks
Pyrimidines
dihydropyrimidine
Chemistry
Organic Building Blocks
Amides
Pyrimidines ∩ Amides
Chemistry
Organic Building Blocks
Ketones
dione
Historical Records

Related Functional Groups of
[ 504-07-4 ]

Amides

Chemical Structure| 2565-47-1

[ 2565-47-1 ]

1-Methylpyrimidine-2,4,6(1H,3H,5H)-trione

Similarity: 0.86

Chemical Structure| 2244-11-3

[ 2244-11-3 ]

Pyrimidine-2,4,5,6(1H,3H)-tetraone hydrate

Similarity: 0.79

Chemical Structure| 1852-17-1

[ 1852-17-1 ]

Tetrahydro-2(1H)-pyrimidinone

Similarity: 0.74

Chemical Structure| 52338-87-1

[ 52338-87-1 ]

1,3-Bis(3-(dimethylamino)propyl)urea

Similarity: 0.67

Chemical Structure| 69332-65-6

[ 69332-65-6 ]

1,3-Dicyclopropylurea

Similarity: 0.64

Related Parent Nucleus of
[ 504-07-4 ]

Pyrimidines

Chemical Structure| 2565-47-1

[ 2565-47-1 ]

1-Methylpyrimidine-2,4,6(1H,3H,5H)-trione

Similarity: 0.86

Chemical Structure| 2244-11-3

[ 2244-11-3 ]

Pyrimidine-2,4,5,6(1H,3H)-tetraone hydrate

Similarity: 0.79

Chemical Structure| 1852-17-1

[ 1852-17-1 ]

Tetrahydro-2(1H)-pyrimidinone

Similarity: 0.74

Chemical Structure| 103365-69-1

[ 103365-69-1 ]

(S)-1-Methyl-2,6-dioxohexahydropyrimidine-4-carboxylic acid

Similarity: 0.58

Chemical Structure| 65-71-4

[ 65-71-4 ]

5-Methylpyrimidine-2,4(1H,3H)-dione

Similarity: 0.57