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

• ChemBase ID: 422511
• Molecular Formular: C15H19N7
• Molecular Mass: 297.35826
• Monoisotopic Mass: 297.17019364
• SMILES: c1(ncnn1CC)C(Nc1c2c(nc(cc2C)C)ncn1)C
• Canonical SMILES: CCn1ncnc1C(Nc1ncnc2c1c(C)cc(n2)C)C
• InChI: InChI=1S/C15H19N7/c1-5-22-15(18-8-19-22)11(4)21-14-12-9(2)6-10(3)20-13(12)16-7-17-14/h6-8,11H,5H2,1-4H3,(H,16,17,20,21)
• InChIKey: GINJHWMMZVLOEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.126199
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.6994104
• LogD (pH = 7.4): 1.7088523
• Log P: 1.7089741
• Molar Refractivity: 99.616 cm^3
• Polarizability: 31.95519 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: 0.83
• LOG S: -2.08
• Polar Surface Area: 81.41 Å^2
• Rotatable Bonds: 4