5,7-dimethyl-N-[2-(morpholin-4-yl)-2-(pyridin-4-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine

• ChemBase编号: 783273
• 分子式: C20H24N6O
• 平均质量: 364.44416
• 单一同位素质量: 364.20115942
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCC(N1CCOCC1)c1ccncc1
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NCC(c1ccncc1)N1CCOCC1
• InChI: InChI=1S/C20H24N6O/c1-14-11-15(2)25-20-18(14)19(23-13-24-20)22-12-17(16-3-5-21-6-4-16)26-7-9-27-10-8-26/h3-6,11,13,17H,7-10,12H2,1-2H3,(H,22,23,24,25)
• InChIKey: WJSITACYLSGHKZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5,7-dimethyl-N-[2-(morpholin-4-yl)-2-(pyridin-4-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
• IUPAC传统名: 5,7-dimethyl-N-[2-(morpholin-4-yl)-2-(pyridin-4-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
• 别名: 5,7-dimethyl-N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)pyrido[2,3-d]pyrimidin-4-amine

理论计算性质

JChem

• Acid pKa: 17.82053
• 质子受体: 7
• 质子供体: 1
• LogD (pH = 5.5): 0.7498613
• LogD (pH = 7.4): 1.578271
• Log P: 1.6111337
• 摩尔折射率: 107.5759 cm^3
• 极化性: 40.379913 Å^3
• 极化表面积: 76.06 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 6
• 质子供体: 1
• Log P: 0.54
• LOG S: -0.01
• 极化表面积: 76.06 Å^2
• 可自由旋转的化学键: 5