6-(3,5-Dimethoxy-phenylamino)-3-methyl-1H-pyrimidine-2,4-dione | 133373-66-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 6-(3,5-Dimethoxy-phenylamino)-3-methyl-1H-pyrimidine-2,4-dione
• 英文别名: 6-(3,5-dimethoxyanilino)-3-methyl-1H-pyrimidine-2,4-dione
• CAS: 133373-66-7
• 化学式: C₁₃H₁₅N₃O₄
• 分子量: 277.28
• InChiKey: QMLZUWOSQHDDLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.83
• 重原子数：
  20.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  85.35
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  6-(3,5-Dimethoxy-phenylamino)-3-methyl-1H-pyrimidine-2,4-dione 、 亚硝基苯 在 乙酸酐 、 溶剂黄146 作用下， 反应 0.58h， 以45%的产率得到10-(3,5-Dimethoxy-phenyl)-3-methyl-10H-benzo[g]pteridine-2,4-dione
  参考文献：
  名称：

  Flavins as potential antimalarials. 2. 3-Methyl-10-(substituted-phenyl)flavins

  摘要：

  A series of 3-methyl-10-(substituted-phenyl)flavins was prepared and tested for antimalarial activity against the lethal parasite Plasmodium vinckei in mice. Several of these analogues were found to be effective antimalarial agents. A quantitative structure-activity relationship study was undertaken with 44 analogues and no satisfactory relationship could be established.

  DOI：

  10.1021/jm00110a009
• 作为产物：
  描述：

  6-氯-3-甲基尿嘧啶 、 3,5-二甲氧基苯胺 在 溶剂黄146 、 N,N-二乙基苯胺 作用下， 反应 0.42h， 以88%的产率得到6-(3,5-Dimethoxy-phenylamino)-3-methyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Flavins as potential antimalarials. 2. 3-Methyl-10-(substituted-phenyl)flavins

  摘要：

  A series of 3-methyl-10-(substituted-phenyl)flavins was prepared and tested for antimalarial activity against the lethal parasite Plasmodium vinckei in mice. Several of these analogues were found to be effective antimalarial agents. A quantitative structure-activity relationship study was undertaken with 44 analogues and no satisfactory relationship could be established.

  DOI：

  10.1021/jm00110a009

文献信息

• COWDEN, WILLIAM B.;HALLADAY, PETER K.;CUNNINGHAM, ROSS B.;HUNT, NICHOLAS +, J. MED. CHEM., 34,(1991) N, C. 1818-1822
  作者：COWDEN, WILLIAM B.、HALLADAY, PETER K.、CUNNINGHAM, ROSS B.、HUNT, NICHOLAS +

  DOI：——

  日期：——