4-ethyl-5-methylpyrimidin-2-ol

• ChemBase编号: 308898
• 分子式: C7H10N2O
• 平均质量: 138.1671
• 单一同位素质量: 138.07931295
• SMILES: n1c(ncc(c1CC)C)O
• Canonical SMILES: CCc1nc(O)ncc1C
• InChI: InChI=1S/C7H10N2O/c1-3-6-5(2)4-8-7(10)9-6/h4H,3H2,1-2H3,(H,8,9,10)
• InChIKey: MFLKSHVKRZWJRO-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• CAS号: 1215295-84-3
• MDL号: MFCD18917004

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.7702829
• LogD (pH = 7.4): 1.7702835
• Log P: 1.7702836
• 摩尔折射率: 38.9088 cm^3
• 极化性: 14.5274725 Å^3
• 极化表面积: 46.01 Å^2