ethyl 2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-oxoacetate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ethyl 2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-oxoacetate
• 英文别名: 6-Amino-1,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidineacetic acid, ethyl ester；ethyl 2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoacetate
• 化学式: C₁₀H₁₃N₃O₅
• 分子量: 255.23
• InChiKey: AFARDEGECYWLCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  110
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ethyl 2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-oxoacetate 在 哌嗪 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1,3-dimethyl-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidine-2,4,5,6-tetraone
  参考文献：
  名称：

  N-substituted 2-(6-amino-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-oxoacetamides

  摘要：

  In reaction of 6-aminouracyles with ethyl oxochloroacetate ethyl 2-(6-amino-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-oxoacetates were obtained, which by further reaction with various amines afforded oxo(pyrimidinyl)acetamides. According to the data of biological tests, the synthesized compounds showed low antibacterial and antitumor activity.

  DOI：

  10.1134/s1070428016080145
• 作为产物：
  描述：

  1,3-二甲基-6-氨基脲嘧啶 、 草酰氯单乙酯 在 丙酮 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 以81%的产率得到ethyl 2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-oxoacetate
  参考文献：
  名称：

  N-substituted 2-(6-amino-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-oxoacetamides

  摘要：

  In reaction of 6-aminouracyles with ethyl oxochloroacetate ethyl 2-(6-amino-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-oxoacetates were obtained, which by further reaction with various amines afforded oxo(pyrimidinyl)acetamides. According to the data of biological tests, the synthesized compounds showed low antibacterial and antitumor activity.

  DOI：

  10.1134/s1070428016080145