N,N-dimethyl-6-[2-(2-methylpropyl)morpholin-4-yl]pyrimidin-4-amine

• ChemBase编号: 537427
• 分子式: C14H24N4O
• 平均质量: 264.36656
• 单一同位素质量: 264.19501141
• SMILES: c1(N2CC(OCC2)CC(C)C)cc(ncn1)N(C)C
• Canonical SMILES: CC(CC1OCCN(C1)c1ncnc(c1)N(C)C)C
• InChI: InChI=1S/C14H24N4O/c1-11(2)7-12-9-18(5-6-19-12)14-8-13(17(3)4)15-10-16-14/h8,10-12H,5-7,9H2,1-4H3
• InChIKey: RIQPTSFHSKKTMC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-6-[2-(2-methylpropyl)morpholin-4-yl]pyrimidin-4-amine
• IUPAC传统名: N,N-dimethyl-6-[2-(2-methylpropyl)morpholin-4-yl]pyrimidin-4-amine
• 别名: 6-(2-isobutylmorpholin-4-yl)-N,N-dimethylpyrimidin-4-amine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 1.571218
• LogD (pH = 7.4): 2.7827084
• Log P: 2.906923
• 摩尔折射率: 79.3734 cm^3
• 极化性: 29.18848 Å^3
• 极化表面积: 41.49 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: 3
• 质子供体: 0
• Log P: 3.13
• LOG S: -3.8
• 极化表面积: 41.49 Å^2
• 可自由旋转的化学键: 4