N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide

• ChemBase ID: 560719
• Molecular Formular: C20H23N3O4
• Molecular Mass: 369.41432
• Monoisotopic Mass: 369.16885623
• SMILES: c1(C(=O)N(C2CC2)Cc2ccc(OCC3CCC3)cc2)cc(=O)[nH]c(=O)[nH]1
• Canonical SMILES: O=c1[nH]c(=O)[nH]c(c1)C(=O)N(C1CC1)Cc1ccc(cc1)OCC1CCC1
• InChI: InChI=1S/C20H23N3O4/c24-18-10-17(21-20(26)22-18)19(25)23(15-6-7-15)11-13-4-8-16(9-5-13)27-12-14-2-1-3-14/h4-5,8-10,14-15H,1-3,6-7,11-12H2,(H2,21,22,24,26)
• InChIKey: WRBCEQRUEXFTDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
• IUPAC Traditional name: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-2,6-dioxo-1,3-dihydropyrimidine-4-carboxamide
• Synonyms: N-[4-(cyclobutylmethoxy)benzyl]-N-cyclopropyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.812669
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.670048
• LogD (pH = 7.4): 1.6539724
• Log P: 1.6702573
• Molar Refractivity: 99.7202 cm^3
• Polarizability: 38.019165 Å^3
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.4
• LOG S: -4.38
• Polar Surface Area: 95.26 Å^2
• Rotatable Bonds: 7