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

• ChemBase ID: 619294
• Molecular Formular: C18H16N6
• Molecular Mass: 316.35984
• Monoisotopic Mass: 316.14364454
• SMILES: c1(n2c(nc1)cccc2)CN(c1nc(c2cnccc2)ccn1)C
• Canonical SMILES: CN(c1nccc(n1)c1cccnc1)Cc1cnc2n1cccc2
• InChI: InChI=1S/C18H16N6/c1-23(13-15-12-21-17-6-2-3-10-24(15)17)18-20-9-7-16(22-18)14-5-4-8-19-11-14/h2-12H,13H2,1H3
• InChIKey: BJWWHTTZWIYFNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N-methyl-4-(pyridin-3-yl)pyrimidin-2-amine
• IUPAC Traditional name: N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N-methyl-4-(pyridin-3-yl)pyrimidin-2-amine
• Synonyms: N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-4-(3-pyridinyl)-2-pyrimidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.419146
• LogD (pH = 7.4): 2.056829
• Log P: 2.0827465
• Molar Refractivity: 94.0727 cm^3
• Polarizability: 35.98167 Å^3
• Polar Surface Area: 59.21 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.59
• LOG S: -3.83
• Polar Surface Area: 59.21 Å^2
• Rotatable Bonds: 4