N-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-2,2,6,6-tetramethylpiperidin-4-amine

• ChemBase编号: 655332
• 分子式: C18H27N5
• 平均质量: 313.44048
• 单一同位素质量: 313.22664589
• SMILES: c1(c2c(nc(cc2C)C)ncn1)NC1CC(NC(C1)(C)C)(C)C
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C18H27N5/c1-11-7-12(2)21-15-14(11)16(20-10-19-15)22-13-8-17(3,4)23-18(5,6)9-13/h7,10,13,23H,8-9H2,1-6H3,(H,19,20,21,22)
• InChIKey: VPKIQTAEUAWMBJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-2,2,6,6-tetramethylpiperidin-4-amine
• IUPAC传统名: N-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-2,2,6,6-tetramethylpiperidin-4-amine
• 别名: 5,7-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-4-amine

理论计算性质

JChem

• Acid pKa: 18.063797
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): -0.95919955
• LogD (pH = 7.4): -0.48087686
• Log P: 2.2824833
• 摩尔折射率: 96.6268 cm^3
• 极化性: 36.53344 Å^3
• 极化表面积: 62.73 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 2
• Log P: 3.13
• LOG S: -3.15
• 极化表面积: 62.73 Å^2
• 可自由旋转的化学键: 2