1-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-4-[(3-methylpyridin-2-yl)methyl]piperazine

• ChemBase ID: 323277
• Molecular Formular: C20H24N6
• Molecular Mass: 348.44476
• Monoisotopic Mass: 348.2062448
• SMILES: c12c(nc(cc2C)C)ncnc1N1CCN(Cc2ncccc2C)CC1
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2N1CCN(CC1)Cc1ncccc1C
• InChI: InChI=1S/C20H24N6/c1-14-5-4-6-21-17(14)12-25-7-9-26(10-8-25)20-18-15(2)11-16(3)24-19(18)22-13-23-20/h4-6,11,13H,7-10,12H2,1-3H3
• InChIKey: MUYOLSGRMDHBRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-4-[(3-methylpyridin-2-yl)methyl]piperazine
• IUPAC Traditional name: 1-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-4-[(3-methylpyridin-2-yl)methyl]piperazine
• Synonyms: 5,7-dimethyl-4-{4-[(3-methylpyridin-2-yl)methyl]piperazin-1-yl}pyrido[2,3-d]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.6072468
• LogD (pH = 7.4): 2.7498732
• Log P: 2.8285012
• Molar Refractivity: 105.616 cm^3
• Polarizability: 39.620792 Å^3
• Polar Surface Area: 58.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.29
• LOG S: -0.53
• Polar Surface Area: 58.04 Å^2
• Rotatable Bonds: 3