5,7-dimethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine

• ChemBase编号: 836323
• 分子式: C20H24N6
• 平均质量: 348.44476
• 单一同位素质量: 348.2062448
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCCc1nc2c(c(n1)C)CCCC2
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NCCc1nc(C)c2c(n1)CCCC2
• InChI: InChI=1S/C20H24N6/c1-12-10-13(2)24-20-18(12)19(22-11-23-20)21-9-8-17-25-14(3)15-6-4-5-7-16(15)26-17/h10-11H,4-9H2,1-3H3,(H,21,22,23,24)
• InChIKey: VCBHYWOIWAGLKD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5,7-dimethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
• IUPAC传统名: 5,7-dimethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
• 别名: 5,7-dimethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine

理论计算性质

JChem

• Acid pKa: 18.679657
• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): 3.3259106
• LogD (pH = 7.4): 3.3410923
• Log P: 3.3412879
• 摩尔折射率: 105.4933 cm^3
• 极化性: 38.80513 Å^3
• 极化表面积: 76.48 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 1
• Log P: 2.96
• LOG S: -4.27
• 极化表面积: 76.48 Å^2
• 可自由旋转的化学键: 4