5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine

• ChemBase编号: 311409
• 分子式: C11H18N4O
• 平均质量: 222.28682
• 单一同位素质量: 222.14806122
• SMILES: c1(nc(nc(c1CC)C)N)N1CCOCC1
• Canonical SMILES: CCc1c(C)nc(nc1N1CCOCC1)N
• InChI: InChI=1S/C11H18N4O/c1-3-9-8(2)13-11(12)14-10(9)15-4-6-16-7-5-15/h3-7H2,1-2H3,(H2,12,13,14)
• InChIKey: VYZIWKYGVDQKSB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine
• IUPAC传统名: 5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine
• 别名: 5-ethyl-4-methyl-6-(4-morpholinyl)-2-pyrimidinamine

登记号

• CAS号: 424813-05-8
• MDL号: MFCD02634653

理论计算性质

• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -0.28245953
• LogD (pH = 7.4): 0.9991114
• Log P: 1.4729567
• 摩尔折射率: 65.419 cm^3
• 极化性: 23.526657 Å^3
• 极化表面积: 64.27 Å^2