4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methyl-N-neopentylpyrimidin-5-amine | 1067229-13-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methyl-N-neopentylpyrimidin-5-amine
• 英文别名: N-(2,2-dimethylpropyl)-4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methylpyrimidin-5-amine
• CAS: 1067229-13-3
• 化学式: C₂₀H₂₉N₃O₂
• 分子量: 343.469
• InChiKey: ZGVNNHQVPVNBDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  56.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  特戊胺 、 5-iodo-4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methylpyrimidine 在 tris-(dibenzylideneacetone)dipalladium(0) 、 三叔丁基膦 作用下， 以 甲苯 为溶剂， 生成 4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methyl-N-neopentylpyrimidin-5-amine
  参考文献：
  名称：

  2-Arylpyrimidines: Novel CRF-1 receptor antagonists

  摘要：

  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.

  DOI：

  10.1016/j.bmcl.2008.07.063

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.