2-chloro-5-[[4-(hydroxymethyl)pyrimidin-2-yl]amino]phenol | 876314-63-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-chloro-5-[[4-(hydroxymethyl)pyrimidin-2-yl]amino]phenol
• CAS: 876314-63-5
• 化学式: C₁₁H₁₀ClN₃O₂
• 分子量: 251.672
• InChiKey: MWUMFLIRZOLONZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.07
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  78.27
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-chloro-5-[[4-(hydroxymethyl)pyrimidin-2-yl]amino]phenol 在 咪唑 、 lithium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Optimization of diarylamines as non-nucleoside inhibitors of HIV-1 reverse transcriptase

  摘要：

  Following computational analyses, potential non-nucleoside inhibitors of HIV-1 reverse transcriptase have been pursued through synthesis and assaying for anti-viral activity. The general class Het-NH-Ph-U has been considered, where Het is an aromatic heterocycle and U is an unsaturated, hydrophobic group. Results for compounds with Het = 2-thiazoyl and 2-pyrimidinyl are the focus of this report. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.037
• 作为产物：
  描述：

  2-氯-5-硝基苯酚 在 对甲苯磺酸 、 tin(ll) chloride 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 生成 2-chloro-5-[[4-(hydroxymethyl)pyrimidin-2-yl]amino]phenol
  参考文献：
  名称：

  Optimization of diarylamines as non-nucleoside inhibitors of HIV-1 reverse transcriptase

  摘要：

  Following computational analyses, potential non-nucleoside inhibitors of HIV-1 reverse transcriptase have been pursued through synthesis and assaying for anti-viral activity. The general class Het-NH-Ph-U has been considered, where Het is an aromatic heterocycle and U is an unsaturated, hydrophobic group. Results for compounds with Het = 2-thiazoyl and 2-pyrimidinyl are the focus of this report. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.037