N-[1-(6-methylpyridin-2-yl)propan-2-yl]-2-(pyridin-4-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine

• ChemBase ID: 607815
• Molecular Formular: C21H24N6
• Molecular Mass: 360.45546
• Monoisotopic Mass: 360.2062448
• SMILES: c1(nc(nc2c1CCNC2)c1ccncc1)NC(Cc1nc(ccc1)C)C
• Canonical SMILES: CC(Nc1nc(nc2c1CCNC2)c1ccncc1)Cc1cccc(n1)C
• InChI: InChI=1S/C21H24N6/c1-14-4-3-5-17(24-14)12-15(2)25-21-18-8-11-23-13-19(18)26-20(27-21)16-6-9-22-10-7-16/h3-7,9-10,15,23H,8,11-13H2,1-2H3,(H,25,26,27)
• InChIKey: JDFAKVKBVLLJNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(6-methylpyridin-2-yl)propan-2-yl]-2-(pyridin-4-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N-[1-(6-methylpyridin-2-yl)propan-2-yl]-2-(pyridin-4-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• Synonyms: N-[1-methyl-2-(6-methylpyridin-2-yl)ethyl]-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.348778
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.7248157
• LogD (pH = 7.4): 1.6962578
• Log P: 2.515493
• Molar Refractivity: 118.1624 cm^3
• Polarizability: 41.216084 Å^3
• Polar Surface Area: 75.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.03
• LOG S: -0.4
• Polar Surface Area: 75.62 Å^2
• Rotatable Bonds: 5