4-[3-(dimethylamino)pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine

• ChemBase编号: 646157
• 分子式: C14H25N5
• 平均质量: 263.3818
• 单一同位素质量: 263.21099583
• SMILES: n1c(N2CC(CC2)N(C)C)c(c(nc1N(C)C)C)C
• Canonical SMILES: CN(C1CCN(C1)c1nc(nc(c1C)C)N(C)C)C
• InChI: InChI=1S/C14H25N5/c1-10-11(2)15-14(18(5)6)16-13(10)19-8-7-12(9-19)17(3)4/h12H,7-9H2,1-6H3
• InChIKey: YENCGHQMGQEYTK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[3-(dimethylamino)pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine
• IUPAC传统名: 4-[3-(dimethylamino)pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine
• 别名: 4-[3-(dimethylamino)pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -2.7060328
• LogD (pH = 7.4): 0.14772613
• Log P: 2.1507046
• 摩尔折射率: 82.0574 cm^3
• 极化性: 29.869698 Å^3
• 极化表面积: 35.5 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.58
• LOG S: -2.32
• 极化表面积: 35.5 Å^2
• 可自由旋转的化学键: 3