N-({2-[cyclohexyl(methyl)amino]pyridin-3-yl}methyl)imidazo[1,2-a]pyrimidine-2-carboxamide

• ChemBase ID: 620150
• Molecular Formular: C20H24N6O
• Molecular Mass: 364.44416
• Monoisotopic Mass: 364.20115942
• SMILES: c1(nc2n(c1)cccn2)C(=O)NCc1c(N(C2CCCCC2)C)nccc1
• Canonical SMILES: CN(c1ncccc1CNC(=O)c1cn2c(n1)nccc2)C1CCCCC1
• InChI: InChI=1S/C20H24N6O/c1-25(16-8-3-2-4-9-16)18-15(7-5-10-21-18)13-23-19(27)17-14-26-12-6-11-22-20(26)24-17/h5-7,10-12,14,16H,2-4,8-9,13H2,1H3,(H,23,27)
• InChIKey: UKZQPBYLYUWRNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({2-[cyclohexyl(methyl)amino]pyridin-3-yl}methyl)imidazo[1,2-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-({2-[cyclohexyl(methyl)amino]pyridin-3-yl}methyl)imidazo[1,2-a]pyrimidine-2-carboxamide
• Synonyms: N-({2-[cyclohexyl(methyl)amino]pyridin-3-yl}methyl)imidazo[1,2-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.375328
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.5780559
• LogD (pH = 7.4): 2.2516232
• Log P: 2.276034
• Molar Refractivity: 106.6047 cm^3
• Polarizability: 39.089214 Å^3
• Polar Surface Area: 75.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.8
• LOG S: -4.25
• Polar Surface Area: 75.42 Å^2
• Rotatable Bonds: 5