2,4-dimethylpyrimidine-5-carbohydrazide

• ChemBase编号: 309698
• 分子式: C7H10N4O
• 平均质量: 166.1805
• 单一同位素质量: 166.08546096
• SMILES: c1(c(nc(nc1)C)C)C(=O)NN
• Canonical SMILES: NNC(=O)c1cnc(nc1C)C
• InChI: InChI=1S/C7H10N4O/c1-4-6(7(12)11-8)3-9-5(2)10-4/h3H,8H2,1-2H3,(H,11,12)
• InChIKey: LTDPWGOVAVFNIU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,4-dimethylpyrimidine-5-carbohydrazide
• IUPAC传统名: 2,4-dimethylpyrimidine-5-carbohydrazide
• 别名: 2,4-dimethyl-5-pyrimidinecarbohydrazide

登记号

• MDL号: MFCD18917043

理论计算性质

• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -0.6305924
• LogD (pH = 7.4): -0.6298785
• Log P: -0.6298685
• 摩尔折射率: 45.5007 cm^3
• 极化性: 16.374626 Å^3
• 极化表面积: 80.9 Å^2