N-[2-(dimethyl-1H-1,2,4-triazol-1-yl)ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 774726
• Molecular Formular: C15H19N7
• Molecular Mass: 297.35826
• Monoisotopic Mass: 297.17019364
• SMILES: n1c(n(nc1C)CCNc1c2c(nc(cc2C)C)ncn1)C
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NCCn1nc(nc1C)C
• InChI: InChI=1S/C15H19N7/c1-9-7-10(2)19-15-13(9)14(17-8-18-15)16-5-6-22-12(4)20-11(3)21-22/h7-8H,5-6H2,1-4H3,(H,16,17,18,19)
• InChIKey: OPLQTYMDCFKZSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethyl-1H-1,2,4-triazol-1-yl)ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-[2-(dimethyl-1,2,4-triazol-1-yl)ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• Synonyms: N-[2-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.951244
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.5876157
• LogD (pH = 7.4): 1.5992606
• Log P: 1.5994108
• Molar Refractivity: 99.588 cm^3
• Polarizability: 31.80062 Å^3
• Polar Surface Area: 81.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.51
• LOG S: -1.8
• Polar Surface Area: 81.41 Å^2
• Rotatable Bonds: 4