N-methyl-2,4-dioxo-N-(2-phenoxyethyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide

• ChemBase ID: 651061
• Molecular Formular: C14H15N3O4
• Molecular Mass: 289.2866
• Monoisotopic Mass: 289.10625598
• SMILES: c1(c(=O)[nH]c(=O)[nH]c1)C(=O)N(CCOc1ccccc1)C
• Canonical SMILES: CN(C(=O)c1c[nH]c(=O)[nH]c1=O)CCOc1ccccc1
• InChI: InChI=1S/C14H15N3O4/c1-17(7-8-21-10-5-3-2-4-6-10)13(19)11-9-15-14(20)16-12(11)18/h2-6,9H,7-8H2,1H3,(H2,15,16,18,20)
• InChIKey: JUNYJUWLZXRQTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2,4-dioxo-N-(2-phenoxyethyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
• IUPAC Traditional name: N-methyl-2,4-dioxo-N-(2-phenoxyethyl)-1,3-dihydropyrimidine-5-carboxamide
• Synonyms: N-methyl-2,4-dioxo-N-(2-phenoxyethyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.973845
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.01626699
• LogD (pH = 7.4): 0.0051089646
• Log P: 0.016411213
• Molar Refractivity: 74.2114 cm^3
• Polarizability: 28.464567 Å^3
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.12
• LOG S: -2.72
• Polar Surface Area: 95.26 Å^2
• Rotatable Bonds: 5