1-methyl-N-({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

• ChemBase ID: 329952
• Molecular Formular: C15H15N5O3
• Molecular Mass: 313.3113
• Monoisotopic Mass: 313.11748937
• SMILES: c1(c(=O)[nH]c(=O)n(c1)C)C(=O)NCc1nc2n(c1)c(ccc2)C
• Canonical SMILES: O=C(c1cn(C)c(=O)[nH]c1=O)NCc1cn2c(n1)cccc2C
• InChI: InChI=1S/C15H15N5O3/c1-9-4-3-5-12-17-10(7-20(9)12)6-16-13(21)11-8-19(2)15(23)18-14(11)22/h3-5,7-8H,6H2,1-2H3,(H,16,21)(H,18,22,23)
• InChIKey: BGRSFKCKCJRDSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-N-({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
• IUPAC Traditional name: 1-methyl-N-({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2,4-dioxo-3H-pyrimidine-5-carboxamide
• Synonyms: 1-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.977414
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.4028382
• LogD (pH = 7.4): -0.8627227
• Log P: -0.8358285
• Molar Refractivity: 82.7777 cm^3
• Polarizability: 30.672485 Å^3
• Polar Surface Area: 95.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.83
• LOG S: -2.09
• Polar Surface Area: 101.26 Å^2
• Rotatable Bonds: 3