5H,6H,7H-cyclopenta[d]pyrimidin-2-ylmethanamine

• ChemBase编号: 309515
• 分子式: C8H11N3
• 平均质量: 149.19304
• 单一同位素质量: 149.09529737
• SMILES: n1c2c(cnc1CN)CCC2
• Canonical SMILES: NCc1ncc2c(n1)CCC2
• InChI: InChI=1S/C8H11N3/c9-4-8-10-5-6-2-1-3-7(6)11-8/h5H,1-4,9H2
• InChIKey: WRCSOYUIEXBTBF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5H,6H,7H-cyclopenta[d]pyrimidin-2-ylmethanamine
• IUPAC传统名: 5H,6H,7H-cyclopenta[d]pyrimidin-2-ylmethanamine
• 别名: (6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)amine

登记号

• MDL号: MFCD18447660

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.6875508
• LogD (pH = 7.4): 0.011184506
• Log P: 0.5243
• 摩尔折射率: 43.1638 cm^3
• 极化性: 16.54226 Å^3
• 极化表面积: 51.8 Å^2