2-Chloro-5-Nitro-N-(2-propoxyethyl)-4-pyrimidinamine | 1186507-99-2

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 2-Chloro-5-Nitro-N-(2-propoxyethyl)-4-pyrimidinamine
• 英文别名: 2-chloro-5-nitro-N-(2-propoxyethyl)pyrimidin-4-amine
• CAS: 1186507-99-2
• 化学式: C₉H₁₃ClN₄O₃
• 分子量: 260.68
• InChiKey: YFEXJSDFQCQATD-UHFFFAOYSA-N

物化性质

• 沸点：
  461.2±40.0 °C(Predicted)
• 密度：
  1.361±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.88
• 重原子数：
  17.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  90.18
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2-Chloro-5-Nitro-N-(2-propoxyethyl)-4-pyrimidinamine 在 氢气 作用下， 生成
  参考文献：
  名称：

  Investigation of aminopyridiopyrazinones as PDE5 inhibitors: Evaluation of modifications to the central ring system

  摘要：

  Efforts to improve the potency and physical properties of the aminopyridiopyrazinone class of PDE5 inhibitors through modi. cation of the core ring system are described. Five new ring systems are evaluated and features that impart improved potency and improved solubility are delineated. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.06.004
• 作为产物：
  描述：

  2-N-丙氧基乙胺 、 2,4-二氯-5 硝基嘧啶 以 乙醇 为溶剂， 以90%的产率得到2-Chloro-5-Nitro-N-(2-propoxyethyl)-4-pyrimidinamine
  参考文献：
  名称：

  Investigation of aminopyridiopyrazinones as PDE5 inhibitors: Evaluation of modifications to the central ring system

  摘要：

  Efforts to improve the potency and physical properties of the aminopyridiopyrazinone class of PDE5 inhibitors through modi. cation of the core ring system are described. Five new ring systems are evaluated and features that impart improved potency and improved solubility are delineated. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.06.004