2-[4-(4-cyclobutyl-6-methylpyrimidin-2-yl)morpholin-2-yl]ethan-1-amine

• ChemBase编号: 516478
• 分子式: C15H24N4O
• 平均质量: 276.37726
• 单一同位素质量: 276.19501141
• SMILES: c1(nc(cc(n1)C)C1CCC1)N1CC(OCC1)CCN
• Canonical SMILES: NCCC1OCCN(C1)c1nc(C)cc(n1)C1CCC1
• InChI: InChI=1S/C15H24N4O/c1-11-9-14(12-3-2-4-12)18-15(17-11)19-7-8-20-13(10-19)5-6-16/h9,12-13H,2-8,10,16H2,1H3
• InChIKey: ADLZXMMLWAGOQT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[4-(4-cyclobutyl-6-methylpyrimidin-2-yl)morpholin-2-yl]ethan-1-amine
• IUPAC传统名: 2-[4-(4-cyclobutyl-6-methylpyrimidin-2-yl)morpholin-2-yl]ethanamine
• 别名: 2-[4-(4-cyclobutyl-6-methylpyrimidin-2-yl)morpholin-2-yl]ethanamine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -1.647092
• LogD (pH = 7.4): -1.1264855
• Log P: 1.4279131
• 摩尔折射率: 79.84 cm^3
• 极化性: 30.539602 Å^3
• 极化表面积: 64.27 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 1
• Log P: 1.92
• LOG S: -1.85
• 极化表面积: 64.27 Å^2
• 可自由旋转的化学键: 4