5-fluoro-1,3-bis[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase编号: 162354
• 分子式: C20H19FN2O4
• 平均质量: 370.3742632
• 单一同位素质量: 370.13288532
• SMILES: n1(cc(c(=O)n(c1=O)Cc1ccc(cc1)OC)F)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)Cn1cc(F)c(=O)n(c1=O)Cc1ccc(cc1)OC
• InChI: InChI=1S/C20H19FN2O4/c1-26-16-7-3-14(4-8-16)11-22-13-18(21)19(24)23(20(22)25)12-15-5-9-17(27-2)10-6-15/h3-10,13H,11-12H2,1-2H3
• InChIKey: GXYGWQHJJWACMQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-fluoro-1,3-bis[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC传统名: 5-fluoro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
• 别名: 5-Fluoro-1,3-bis[(4-methoxyphenyl)methyl]-2,4(1H,3H)-pyrimidinedione; 1,3-Bis(4-methoxybenzyl)-5-fluorouracil

登记号

• CAS号: 897304-05-1
• PubChem SID: 162256489
• PubChem CID: 23656844

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.9251077
• LogD (pH = 7.4): 2.9251077
• Log P: 2.9251077
• 摩尔折射率: 98.1172 cm^3
• 极化性: 37.189083 Å^3
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Dimethylformamide; DMSO; Ethyl Acetate
• 外观: White Solid

详细说明

Toronto Research Chemicals - B486700

An Intermediate for the synthesis of uracil derivatives.