methyl[(1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-yl)methyl]amine

• ChemBase编号: 76033
• 分子式: C13H18N4S
• 平均质量: 262.37382
• 单一同位素质量: 262.1252176
• SMILES: s1c2c(ncnc2N2CCC(CC2)CNC)cc1
• Canonical SMILES: CNCC1CCN(CC1)c1ncnc2c1scc2
• InChI: InChI=1S/C13H18N4S/c1-14-8-10-2-5-17(6-3-10)13-12-11(4-7-18-12)15-9-16-13/h4,7,9-10,14H,2-3,5-6,8H2,1H3
• InChIKey: WDLUKYARQVQMCZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl[(1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-yl)methyl]amine
• IUPAC传统名: methyl[(1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-yl)methyl]amine
• 别名: N-methyl-(1-thieno[3,2-d]pyrimidin-4-ylpiperid-4-yl)methylamine; N-Methyl-(1-thieno[3,2-d]pyrimidin-4-ylpiperid-4-yl)methylamine; 4-{4-[(Methylamino)methyl]piperidin-1-yl}thieno[3,2-d]pyrimidine 97%

登记号

• CAS号: 921939-04-0
• MDL号: MFCD09817541
• PubChem SID: 162040951
• PubChem CID: 24229712

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -1.1258457
• LogD (pH = 7.4): -0.8334464
• Log P: 2.118471
• 摩尔折射率: 75.4069 cm^3
• 极化性: 29.540428 Å^3
• 极化表面积: 41.05 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Corrosive

产品相关信息

• 纯度: 97%