N,6-dimethyl-2-(piperidin-4-yl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-amine hydrochloride

• ChemBase编号: 38278
• 分子式: C14H24ClN5
• 平均质量: 297.82686
• 单一同位素质量: 297.17202347
• SMILES: n1c(c2c(nc1C1CCNCC1)CCN(C2)C)NC.Cl
• Canonical SMILES: CNc1nc(nc2c1CN(C)CC2)C1CCNCC1.Cl
• InChI: InChI=1S/C14H23N5.ClH/c1-15-14-11-9-19(2)8-5-12(11)17-13(18-14)10-3-6-16-7-4-10;/h10,16H,3-9H2,1-2H3,(H,15,17,18);1H
• InChIKey: MUSKMYFQOCONNK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,6-dimethyl-2-(piperidin-4-yl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-amine hydrochloride
• IUPAC传统名: N,6-dimethyl-2-(piperidin-4-yl)-5H,7H,8H-pyrido[4,3-d]pyrimidin-4-amine hydrochloride
• 别名: Methyl-(6-methyl-2-piperidin-4-yl-5,6,7,8-tetra-hydro-pyrido[4,3-d]pyrimidin-4-yl)-amine hydrochloride

登记号

• MDL号: MFCD12028545
• PubChem SID: 161001585
• PubChem CID: 46737165

理论计算性质

• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): -4.080158
• LogD (pH = 7.4): -1.796469
• Log P: 0.7933996
• 摩尔折射率: 79.5601 cm^3
• 极化性: 29.524239 Å^3
• 极化表面积: 53.08 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false