N-ethyl-N-methyl-6-{pyrazolo[1,5-a]pyridin-7-yl}pyrimidin-4-amine

• ChemBase编号: 357271
• 分子式: C14H15N5
• 平均质量: 253.3024
• 单一同位素质量: 253.13274551
• SMILES: n12c(c3cc(ncn3)N(CC)C)cccc1ccn2
• Canonical SMILES: CCN(c1ncnc(c1)c1cccc2n1ncc2)C
• InChI: InChI=1S/C14H15N5/c1-3-18(2)14-9-12(15-10-16-14)13-6-4-5-11-7-8-17-19(11)13/h4-10H,3H2,1-2H3
• InChIKey: HRESWWFHRUIGSJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-N-methyl-6-{pyrazolo[1,5-a]pyridin-7-yl}pyrimidin-4-amine
• IUPAC传统名: N-ethyl-N-methyl-6-{pyrazolo[1,5-a]pyridin-7-yl}pyrimidin-4-amine
• 别名: N-ethyl-N-methyl-6-pyrazolo[1,5-a]pyridin-7-ylpyrimidin-4-amine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.5812967
• LogD (pH = 7.4): 2.5919216
• Log P: 2.592059
• 摩尔折射率: 86.7746 cm^3
• 极化性: 29.80478 Å^3
• 极化表面积: 46.32 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: 3
• 质子供体: 0
• Log P: 2.48
• LOG S: -3.17
• 极化表面积: 46.32 Å^2
• 可自由旋转的化学键: 3