N-(2-methoxyethyl)-2-methyl-N-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrimidine-3-carboxamide

• ChemBase编号: 461071
• 分子式: C19H22N4O2
• 平均质量: 338.40358
• 单一同位素质量: 338.17427596
• SMILES: c1(n2c(nc1C)nccc2)C(=O)N(Cc1ccc(cc1)C)CCOC
• Canonical SMILES: COCCN(C(=O)c1c(C)nc2n1cccn2)Cc1ccc(cc1)C
• InChI: InChI=1S/C19H22N4O2/c1-14-5-7-16(8-6-14)13-22(11-12-25-3)18(24)17-15(2)21-19-20-9-4-10-23(17)19/h4-10H,11-13H2,1-3H3
• InChIKey: JLKPHRJGJVGCPD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-methoxyethyl)-2-methyl-N-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
• IUPAC传统名: N-(2-methoxyethyl)-2-methyl-N-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
• 别名: N-(2-methoxyethyl)-2-methyl-N-(4-methylbenzyl)imidazo[1,2-a]pyrimidine-3-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.3475027
• LogD (pH = 7.4): 1.3475766
• Log P: 1.3475776
• 摩尔折射率: 98.8277 cm^3
• 极化性: 36.429832 Å^3
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 2.03
• LOG S: -3.4
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 6