(4-methoxy-6-methylpyrimidin-2-yl)methanamine

• ChemBase编号: 803830
• 分子式: C7H11N3O
• 平均质量: 153.18174
• 单一同位素质量: 153.09021199
• SMILES: C(N)c1nc(cc(n1)C)OC
• Canonical SMILES: COc1cc(C)nc(n1)CN
• InChI: InChI=1S/C7H11N3O/c1-5-3-7(11-2)10-6(4-8)9-5/h3H,4,8H2,1-2H3
• InChIKey: NXNWUWSHZNLQFX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (4-methoxy-6-methylpyrimidin-2-yl)methanamine
• IUPAC传统名: (4-methoxy-6-methylpyrimidin-2-yl)methanamine
• 别名: (4-METHOXY-6-METHYLPYRIMIDIN-2-YL)METHANAMINE

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -1.8851227
• LogD (pH = 7.4): -0.1988192
• Log P: 0.2762484
• 摩尔折射率: 42.0746 cm^3
• 极化性: 16.194305 Å^3
• 极化表面积: 61.03 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%