N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N,4,6-trimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

• ChemBase ID: 581016
• Molecular Formular: C17H24N4O3
• Molecular Mass: 332.39746
• Monoisotopic Mass: 332.18484065
• SMILES: C1(=C(NC(=O)NC1C)C)C(=O)N(Cc1c(c(c(cn1)C)OC)C)C
• Canonical SMILES: COc1c(C)cnc(c1C)CN(C(=O)C1=C(C)NC(=O)NC1C)C
• InChI: InChI=1S/C17H24N4O3/c1-9-7-18-13(10(2)15(9)24-6)8-21(5)16(22)14-11(3)19-17(23)20-12(14)4/h7,11H,8H2,1-6H3,(H2,19,20,23)
• InChIKey: VLHFUIQEKYLETR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N,4,6-trimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
• IUPAC Traditional name: N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
• Synonyms: N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N,4,6-trimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.63873
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.7161251
• LogD (pH = 7.4): 0.17757516
• Log P: 0.23445547
• Molar Refractivity: 92.1469 cm^3
• Polarizability: 34.661404 Å^3
• Polar Surface Area: 83.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.24
• LOG S: -2.68
• Polar Surface Area: 83.56 Å^2
• Rotatable Bonds: 4