ethyl 6-(dimethoxymethyl)-2-methylpyrimidine-4-carboxylate

• ChemBase编号: 803683
• 分子式: C11H16N2O4
• 平均质量: 240.25574
• 单一同位素质量: 240.111007
• SMILES: c1c(nc(nc1C(OC)OC)C)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cc(nc(n1)C)C(OC)OC
• InChI: InChI=1S/C11H16N2O4/c1-5-17-10(14)8-6-9(11(15-3)16-4)13-7(2)12-8/h6,11H,5H2,1-4H3
• InChIKey: XMUBFVWVAUBUNA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 6-(dimethoxymethyl)-2-methylpyrimidine-4-carboxylate
• IUPAC传统名: ethyl 6-(dimethoxymethyl)-2-methylpyrimidine-4-carboxylate
• 别名: ETHYL 6-(DIMETHOXYMETHYL)-2-METHYLPYRIMIDINE-4-CARBOXYLATE

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 1.1853268
• LogD (pH = 7.4): 1.1853272
• Log P: 1.1853272
• 摩尔折射率: 60.7431 cm^3
• 极化性: 23.558603 Å^3
• 极化表面积: 70.54 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%