N-[1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-yl]-2-methyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine

• ChemBase ID: 849799
• Molecular Formular: C16H24N6
• Molecular Mass: 300.40196
• Monoisotopic Mass: 300.2062448
• SMILES: n1(nc(cc1C)C)CC(Nc1nc(nc2c1CCNC2)C)C
• Canonical SMILES: Cc1nc(NC(Cn2nc(cc2C)C)C)c2c(n1)CNCC2
• InChI: InChI=1S/C16H24N6/c1-10-7-12(3)22(21-10)9-11(2)18-16-14-5-6-17-8-15(14)19-13(4)20-16/h7,11,17H,5-6,8-9H2,1-4H3,(H,18,19,20)
• InChIKey: JQPFEFQOIJGIBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-yl]-2-methyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-methyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• Synonyms: N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-methylethyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.256165
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.9850188
• LogD (pH = 7.4): 0.7552071
• Log P: 1.3579352
• Molar Refractivity: 101.0418 cm^3
• Polarizability: 33.051464 Å^3
• Polar Surface Area: 67.66 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.23
• LOG S: -1.43
• Polar Surface Area: 67.66 Å^2
• Rotatable Bonds: 4