N⁴-benzyl-2-methylsulfanyl-pyrimidine-4,6-diamine | 60722-63-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: N⁴-benzyl-2-methylsulfanyl-pyrimidine-4,6-diamine
• 英文别名: N~4~-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diamine；4-N-benzyl-2-methylsulfanylpyrimidine-4,6-diamine
• CAS: 60722-63-6
• 化学式: C₁₂H₁₄N₄S
• 分子量: 246.336
• InChiKey: QJXQRYOGPKRWFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  89.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-氨基-6-氯-2-甲硫基嘧啶 、 苄胺 在 sodium hydride 、 p-nitrophenyl carbonate Wang resin 、 TEA 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 正丁醇 为溶剂， 反应 48.25h， 生成 N⁴-benzyl-2-methylsulfanyl-pyrimidine-4,6-diamine
  参考文献：
  名称：

  Solid Phase Synthesis of Diamino-Substituted Pyrimidines

  摘要：

  2,4- and 4,6-Diamino-substituted pyrimidines are known for their biological activity in many therapeutic areas. A novel solid-phase synthesis of this class of compounds by nucleophilic aromatic substitution has been set up and the reactivity of differently substituted solid-supported pyrimidines with properly selected amines has been studied, Using this methodology a small library of diamino-substituted pyrimidines has been prepared.

  DOI：

  10.1002/1099-0690(200112)2001:24<4737::aid-ejoc4737>3.0.co;2-1

文献信息

• Guillier, Fabrice; Roussel, Patrick; Moser, Heinz, Chemistry - A European Journal, 1999, vol. 5, # 12, p. 3450 - 3458
  作者：Guillier, Fabrice、Roussel, Patrick、Moser, Heinz、Kane, Peter、Bradley, Mark

  DOI：——

  日期：——
• Solid Phase Synthesis of Diamino-Substituted Pyrimidines
  作者：Caterina Barillari、Daniela Barlocco、Luca F. Raveglia

  DOI：10.1002/1099-0690(200112)2001:24<4737::aid-ejoc4737>3.0.co;2-1

  日期：2001.12

  2,4- and 4,6-Diamino-substituted pyrimidines are known for their biological activity in many therapeutic areas. A novel solid-phase synthesis of this class of compounds by nucleophilic aromatic substitution has been set up and the reactivity of differently substituted solid-supported pyrimidines with properly selected amines has been studied, Using this methodology a small library of diamino-substituted pyrimidines has been prepared.