N,5,7-trimethyl-N-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-4-amine

• ChemBase编号: 534703
• 分子式: C15H20N4O
• 平均质量: 272.3455
• 单一同位素质量: 272.16371128
• SMILES: c12c(nc(cc2C)C)ncnc1N(CC1COCC1)C
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2N(CC1COCC1)C
• InChI: InChI=1S/C15H20N4O/c1-10-6-11(2)18-14-13(10)15(17-9-16-14)19(3)7-12-4-5-20-8-12/h6,9,12H,4-5,7-8H2,1-3H3
• InChIKey: YNBWQEMPAXUTTO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,5,7-trimethyl-N-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-4-amine
• IUPAC传统名: N,5,7-trimethyl-N-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-4-amine
• 别名: N,5,7-trimethyl-N-(tetrahydrofuran-3-ylmethyl)pyrido[2,3-d]pyrimidin-4-amine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 1.8896885
• LogD (pH = 7.4): 1.898351
• Log P: 1.8984625
• 摩尔折射率: 81.1849 cm^3
• 极化性: 30.159864 Å^3
• 极化表面积: 51.14 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.18
• LOG S: -2.19
• 极化表面积: 51.14 Å^2
• 可自由旋转的化学键: 3