2-(2,4-二氯-苯基)-4-甲氧基-6-甲基-嘧啶-5-基胺 | 1067229-00-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2-(2,4-二氯-苯基)-4-甲氧基-6-甲基-嘧啶-5-基胺
• 英文名称: 2-(2,4-Dichloro-phenyl)-4-methoxy-6-methyl-pyrimidin-5-ylamine
• CAS: 1067229-00-8
• 化学式: C₁₂H₁₁Cl₂N₃O
• 分子量: 284.145
• InChiKey: ZRHSHLKGYUPDAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.35
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  61.03
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-(2,4-二氯-苯基)-4-甲氧基-6-甲基-嘧啶-5-基胺 在 盐酸 、 三乙酰氧基硼氢化钠 、 sodium hydride 、 溶剂黄146 作用下， 以 四氢呋喃 、 1,2-二氯乙烷 为溶剂， 生成 2-(2,4-Dichloro-phenyl)-5-dipropylamino-3-ethyl-6-methyl-3H-pyrimidin-4-one
  参考文献：
  名称：

  2-Aryl-3,6-dialkyl-5-dialkylaminopyrimidin-4-ones as novel crf-1 receptor antagonists

  摘要：

  The discovery, synthesis and structure-activity studies of a novel series of 2-arylpyrimidin-4-ones as CRF-1 receptor antagonists is described. These compounds are structurally simple and display appropriate physical properties for CNS agents (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00483-9
• 作为产物：
  描述：

  2,4-二氯-5-硝基-6-甲基嘧啶 在 palladium on activated charcoal 四(三苯基膦)钯 、 氢气 、 碳酸氢钠 作用下， 以 甲醇 、 甲苯 为溶剂， 生成 2-(2,4-二氯-苯基)-4-甲氧基-6-甲基-嘧啶-5-基胺
  参考文献：
  名称：

  2-Aryl-3,6-dialkyl-5-dialkylaminopyrimidin-4-ones as novel crf-1 receptor antagonists

  摘要：

  The discovery, synthesis and structure-activity studies of a novel series of 2-arylpyrimidin-4-ones as CRF-1 receptor antagonists is described. These compounds are structurally simple and display appropriate physical properties for CNS agents (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00483-9

文献信息

• 2-Arylpyrimidines: Novel CRF-1 receptor antagonists
  作者：Taeyoung Yoon、Stéphane De Lombaert、Robbin Brodbeck、Michael Gulianello、James E. Krause、Alan Hutchison、Raymond F. Horvath、Ping Ge、John Kehne、Diane Hoffman、Jayaraman Chandrasekhar、Darío Doller、Kevin J. Hodgetts

  DOI：10.1016/j.bmcl.2008.07.063

  日期：2008.8

  The design, synthesis and structure-activity relationship studies of a novel series of CRF-1 receptor antagonists, the 2-arylpyrimidines, are described. The effects of substitution on the aromatic ring and the pyrimidine core on CRF-1 receptor binding were investigated. A number of compounds with K-i values below 10 nM and lipophilicity in a minimally acceptable range for a CNS drug (cLogP < 5) were discovered. (c) 2008 Elsevier Ltd. All rights reserved.