5-amino-6-(cyclopropylmethylamino)-3-methyl-1H-pyrimidine-2,4-dione | 1228356-28-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-amino-6-(cyclopropylmethylamino)-3-methyl-1H-pyrimidine-2,4-dione
• CAS: 1228356-28-2
• 化学式: C₉H₁₄N₄O₂
• 分子量: 210.236
• InChiKey: AHYFNTVYQGKYNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  87.5
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  苯并噻唑-2-甲醛 、 5-amino-6-(cyclopropylmethylamino)-3-methyl-1H-pyrimidine-2,4-dione 以 甲苯 为溶剂， 反应 1.0h， 生成 5-(1,3-benzothiazol-2-ylmethylideneamino)-6-(cyclopropylmethylamino)-3-methyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Synthesis of Novel 3,7-Dihydro-purine-2,6-dione Derivatives

  摘要：

  Forty-six novel 3,7-dihydro-purine-2,6-dione derivatives (substituted xanthines) with great structural diversity were synthesized for biological activity screening. Three series of substituted xanthine analogs have been prepared in moderate to excellent yields.

  DOI：

  10.1080/00397910903097260
• 作为产物：
  描述：

  6-(cyclopropylmethylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione 在 sodium dithionite 、 氨 作用下， 以 水 为溶剂， 反应 3.0h， 生成 5-amino-6-(cyclopropylmethylamino)-3-methyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Synthesis of Novel 3,7-Dihydro-purine-2,6-dione Derivatives

  摘要：

  Forty-six novel 3,7-dihydro-purine-2,6-dione derivatives (substituted xanthines) with great structural diversity were synthesized for biological activity screening. Three series of substituted xanthine analogs have been prepared in moderate to excellent yields.

  DOI：

  10.1080/00397910903097260