2-amino-6-ethyl-5-methylpyrimidin-4-ol

• ChemBase编号: 308550
• 分子式: C7H11N3O
• 平均质量: 153.18174
• 单一同位素质量: 153.09021199
• SMILES: n1c(c(c(nc1N)CC)C)O
• Canonical SMILES: CCc1nc(N)nc(c1C)O
• InChI: InChI=1S/C7H11N3O/c1-3-5-4(2)6(11)10-7(8)9-5/h3H2,1-2H3,(H3,8,9,10,11)
• InChIKey: OWHWLTIBGSRUMZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino-6-ethyl-5-methylpyrimidin-4-ol
• IUPAC传统名: 2-amino-6-ethyl-5-methylpyrimidin-4-ol
• 别名: 2-amino-6-ethyl-5-methyl-4-pyrimidinol

登记号

• CAS号: 134277-54-6
• MDL号: MFCD01846289

理论计算性质

• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 1.5355686
• LogD (pH = 7.4): 1.5358105
• Log P: 1.5358151
• 摩尔折射率: 43.9227 cm^3
• 极化性: 15.676915 Å^3
• 极化表面积: 72.03 Å^2