{imidazo[1,2-a]pyrimidin-6-ylmethyl}(methyl)[1-(4-methylpyridin-2-yl)propan-2-yl]amine

• ChemBase编号: 782704
• 分子式: C17H21N5
• 平均质量: 295.38214
• 单一同位素质量: 295.1796957
• SMILES: c12n(cc(cn1)CN(C(Cc1nccc(c1)C)C)C)ccn2
• Canonical SMILES: CN(C(Cc1nccc(c1)C)C)Cc1cnc2n(c1)ccn2
• InChI: InChI=1S/C17H21N5/c1-13-4-5-18-16(8-13)9-14(2)21(3)11-15-10-20-17-19-6-7-22(17)12-15/h4-8,10,12,14H,9,11H2,1-3H3
• InChIKey: WEECVNPVKQFYNL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {imidazo[1,2-a]pyrimidin-6-ylmethyl}(methyl)[1-(4-methylpyridin-2-yl)propan-2-yl]amine
• IUPAC传统名: {imidazo[1,2-a]pyrimidin-6-ylmethyl}(methyl)[1-(4-methylpyridin-2-yl)propan-2-yl]amine
• 别名: (imidazo[1,2-a]pyrimidin-6-ylmethyl)methyl[1-methyl-2-(4-methylpyridin-2-yl)ethyl]amine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -1.3949045
• LogD (pH = 7.4): 0.39791527
• Log P: 1.5039734
• 摩尔折射率: 89.4252 cm^3
• 极化性: 33.523506 Å^3
• 极化表面积: 46.32 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: 1.34
• LOG S: -0.19
• 极化表面积: 46.32 Å^2
• 可自由旋转的化学键: 5