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

• ChemBase ID: 643869
• Molecular Formular: C17H22N6
• Molecular Mass: 310.39678
• Monoisotopic Mass: 310.19059473
• SMILES: n1(nc(cc1C)C)CC(Nc1c2c(nc(cc2C)C)ncn1)C
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NC(Cn1nc(cc1C)C)C
• InChI: InChI=1S/C17H22N6/c1-10-6-11(2)20-16-15(10)17(19-9-18-16)21-13(4)8-23-14(5)7-12(3)22-23/h6-7,9,13H,8H2,1-5H3,(H,18,19,20,21)
• InChIKey: DZDBDMPFZHVUKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.332275
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.208193
• LogD (pH = 7.4): 2.22134
• Log P: 2.2215092
• Molar Refractivity: 105.5088 cm^3
• Polarizability: 34.518707 Å^3
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.3
• LOG S: -3.43
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 4