4-{4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}-N,N,5,6-tetramethylpyrimidin-2-amine

• ChemBase编号: 329055
• 分子式: C19H30N6O
• 平均质量: 358.4811
• 单一同位素质量: 358.24810961
• SMILES: n1c(c(c(nc1N(C)C)C)C)N1CCC(c2n(ccn2)CCOC)CC1
• Canonical SMILES: COCCn1ccnc1C1CCN(CC1)c1nc(nc(c1C)C)N(C)C
• InChI: InChI=1S/C19H30N6O/c1-14-15(2)21-19(23(3)4)22-17(14)24-9-6-16(7-10-24)18-20-8-11-25(18)12-13-26-5/h8,11,16H,6-7,9-10,12-13H2,1-5H3
• InChIKey: CMADBXAOVYSEOE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-{4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}-N,N,5,6-tetramethylpyrimidin-2-amine
• IUPAC传统名: 4-{4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl}-N,N,5,6-tetramethylpyrimidin-2-amine
• 别名: 4-{4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-piperidinyl}-N,N,5,6-tetramethyl-2-pyrimidinamine

理论计算性质

Provided by Chembridge

• Log P: 2.49
• LOG S: -3.94
• 极化表面积: 59.31 Å^2
• 可自由旋转的化学键: 6
• 质子受体: 4
• 质子供体: 0

JChem

• 摩尔折射率: 106.6036 cm^3
• 极化性: 38.97649 Å^3
• 极化表面积: 59.31 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true
• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 0.023634335
• LogD (pH = 7.4): 2.1672866
• Log P: 2.6348557