N-cyclohexyl-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 681788
• Molecular Formular: C15H20N4
• Molecular Mass: 256.3461
• Monoisotopic Mass: 256.16879666
• SMILES: c1(c2c(nc(cc2C)C)ncn1)NC1CCCCC1
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NC1CCCCC1
• InChI: InChI=1S/C15H20N4/c1-10-8-11(2)18-14-13(10)15(17-9-16-14)19-12-6-4-3-5-7-12/h8-9,12H,3-7H2,1-2H3,(H,16,17,18,19)
• InChIKey: MPJZRNBNASGZLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-cyclohexyl-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• Synonyms: N-cyclohexyl-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.283377
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.0331318
• LogD (pH = 7.4): 3.043558
• Log P: 3.0436924
• Molar Refractivity: 79.3706 cm^3
• Polarizability: 29.475512 Å^3
• Polar Surface Area: 50.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.14
• LOG S: -3.75
• Polar Surface Area: 50.7 Å^2
• Rotatable Bonds: 2