N-(2-{imidazo[1,2-a]pyridin-3-yl}ethyl)-6-methyl-2-(pyridin-3-yl)pyrimidin-4-amine

• ChemBase ID: 847329
• Molecular Formular: C19H18N6
• Molecular Mass: 330.38642
• Monoisotopic Mass: 330.15929461
• SMILES: n12c(ncc1CCNc1nc(nc(c1)C)c1cnccc1)cccc2
• Canonical SMILES: Cc1cc(NCCc2cnc3n2cccc3)nc(n1)c1cccnc1
• InChI: InChI=1S/C19H18N6/c1-14-11-17(24-19(23-14)15-5-4-8-20-12-15)21-9-7-16-13-22-18-6-2-3-10-25(16)18/h2-6,8,10-13H,7,9H2,1H3,(H,21,23,24)
• InChIKey: XGSBBKFMBKJRQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{imidazo[1,2-a]pyridin-3-yl}ethyl)-6-methyl-2-(pyridin-3-yl)pyrimidin-4-amine
• IUPAC Traditional name: N-(2-{imidazo[1,2-a]pyridin-3-yl}ethyl)-6-methyl-2-(pyridin-3-yl)pyrimidin-4-amine
• Synonyms: N-(2-imidazo[1,2-a]pyridin-3-ylethyl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.65848833
• LogD (pH = 7.4): 2.0688112
• Log P: 2.1908238
• Molar Refractivity: 110.3092 cm^3
• Polarizability: 36.979088 Å^3
• Polar Surface Area: 68.0 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: 2.67
• LOG S: -3.88
• Polar Surface Area: 68.0 Å^2
• Rotatable Bonds: 5