ethyl 2-tert-butyl-6-(dimethoxymethyl)pyrimidine-4-carboxylate

• ChemBase编号: 803685
• 分子式: C14H22N2O4
• 平均质量: 282.33548
• 单一同位素质量: 282.15795719
• SMILES: c1c(nc(nc1C(OC)OC)C(C)(C)C)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cc(nc(n1)C(C)(C)C)C(OC)OC
• InChI: InChI=1S/C14H22N2O4/c1-7-20-11(17)9-8-10(12(18-5)19-6)16-13(15-9)14(2,3)4/h8,12H,7H2,1-6H3
• InChIKey: NSSPSQCOBYRVAA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 2-tert-butyl-6-(dimethoxymethyl)pyrimidine-4-carboxylate
• IUPAC传统名: ethyl 2-tert-butyl-6-(dimethoxymethyl)pyrimidine-4-carboxylate
• 别名: ETHYL 2-TERT-BUTYL-6-(DIMETHOXYMETHYL)PYRIMIDINE-4-CARBOXYLATE

理论计算性质

• LogD (pH = 7.4): 2.9608727
• Log P: 2.9608727
• 摩尔折射率: 74.4455 cm^3
• 极化性: 29.04493 Å^3
• 极化表面积: 70.54 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 2.9608727

分子性质

产品相关信息

• 纯度: 98%