N-(3-methylpyridin-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide

• ChemBase ID: 715760
• Molecular Formular: C13H11N5O
• Molecular Mass: 253.25934
• Monoisotopic Mass: 253.09636
• SMILES: c1(nc2n(c1)cccn2)C(=O)Nc1ncccc1C
• Canonical SMILES: O=C(c1cn2c(n1)nccc2)Nc1ncccc1C
• InChI: InChI=1S/C13H11N5O/c1-9-4-2-5-14-11(9)17-12(19)10-8-18-7-3-6-15-13(18)16-10/h2-8H,1H3,(H,14,17,19)
• InChIKey: ZLETUGHVSCFONN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methylpyridin-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-(3-methylpyridin-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
• Synonyms: N-(3-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.079758
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1732785
• LogD (pH = 7.4): 1.1751251
• Log P: 1.1752366
• Molar Refractivity: 73.1489 cm^3
• Polarizability: 25.911667 Å^3
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.43
• LOG S: -1.41
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 2