7-methyl-2-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}-2,7-diazaspiro[4.5]decan-6-one

• ChemBase编号: 838715
• 分子式: C17H21N5O2
• 平均质量: 327.38094
• 单一同位素质量: 327.16952494
• SMILES: c1(n2c(nc1C)nccc2)C(=O)N1CC2(C(=O)N(CCC2)C)CC1
• Canonical SMILES: CN1CCCC2(C1=O)CCN(C2)C(=O)c1c(C)nc2n1cccn2
• InChI: InChI=1S/C17H21N5O2/c1-12-13(22-9-4-7-18-16(22)19-12)14(23)21-10-6-17(11-21)5-3-8-20(2)15(17)24/h4,7,9H,3,5-6,8,10-11H2,1-2H3
• InChIKey: UTHFYSPAAFMSNM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-methyl-2-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 7-methyl-2-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}-2,7-diazaspiro[4.5]decan-6-one
• 别名: 7-methyl-2-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.8915082
• LogD (pH = 7.4): -0.8914333
• Log P: -0.89143234
• 摩尔折射率: 90.7433 cm^3
• 极化性: 33.384594 Å^3
• 极化表面积: 70.81 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: -0.16
• LOG S: -2.76
• 极化表面积: 70.81 Å^2
• 可自由旋转的化学键: 1