{2-[4-(5-ethyl-2-methylpyrimidin-4-yl)morpholin-2-yl]ethyl}dimethylamine

• ChemBase编号: 736395
• 分子式: C15H26N4O
• 平均质量: 278.39314
• 单一同位素质量: 278.21066147
• SMILES: c1(N2CC(OCC2)CCN(C)C)nc(ncc1CC)C
• Canonical SMILES: CCc1cnc(nc1N1CCOC(C1)CCN(C)C)C
• InChI: InChI=1S/C15H26N4O/c1-5-13-10-16-12(2)17-15(13)19-8-9-20-14(11-19)6-7-18(3)4/h10,14H,5-9,11H2,1-4H3
• InChIKey: GHNZXRUZFWKXHU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {2-[4-(5-ethyl-2-methylpyrimidin-4-yl)morpholin-2-yl]ethyl}dimethylamine
• IUPAC传统名: {2-[4-(5-ethyl-2-methylpyrimidin-4-yl)morpholin-2-yl]ethyl}dimethylamine
• 别名: 2-[4-(5-ethyl-2-methyl-4-pyrimidinyl)-2-morpholinyl]-N,N-dimethylethanamine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -1.9393526
• LogD (pH = 7.4): 0.09991294
• Log P: 2.14559
• 摩尔折射率: 83.3602 cm^3
• 极化性: 31.26585 Å^3
• 极化表面积: 41.49 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.09
• LOG S: -1.15
• 极化表面积: 41.49 Å^2
• 可自由旋转的化学键: 5