4-chloro-6-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]pyrimidin-2-amine | 860021-42-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-chloro-6-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]pyrimidin-2-amine
• CAS: 860021-42-7
• 化学式: C₁₅H₂₀ClN₃
• 分子量: 277.797
• InChiKey: PELFFWKKHCNROU-VOTSOKGWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  51.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-chloro-6-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]pyrimidin-2-amine 、 sodium butanolate 以 正丁醇 为溶剂， 反应 12.0h， 以55%的产率得到4-butoxy-6-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]pyrimidin-2-amine
  参考文献：
  名称：

  Antileishmanial agents part-IV: synthesis and antileishmanial activity of novel terpenyl pyrimidines

  摘要：

  Some novel N- and O-substituted terpenyl pyrimidines 4 (a-j) have been synthesized and screened for in vitro antileishmanial activity profile in promastigote model. Some of the compounds exhibited 100% inhibition at 10 mu g ml(-1) concentration. (c) 2005 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2005.01.004
• 作为产物：
  描述：

  2-amino-6-[2-(2,6,6-trimethylcyclohex-2-enyl)ethenyl]-3H-pyrimidin-4-one 在 N,N-二异丙基乙胺 、 三氯氧磷 作用下， 反应 8.0h， 以99%的产率得到4-chloro-6-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]pyrimidin-2-amine
  参考文献：
  名称：

  Antileishmanial agents part-IV: synthesis and antileishmanial activity of novel terpenyl pyrimidines

  摘要：

  Some novel N- and O-substituted terpenyl pyrimidines 4 (a-j) have been synthesized and screened for in vitro antileishmanial activity profile in promastigote model. Some of the compounds exhibited 100% inhibition at 10 mu g ml(-1) concentration. (c) 2005 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2005.01.004

文献信息

• Antileishmanial agents part-IV: synthesis and antileishmanial activity of novel terpenyl pyrimidines
  作者：Naveen Chandra、Ramesh、Ashutosh、Neena Goyal、S.N. Suryawanshi、Suman Gupta

  DOI：10.1016/j.ejmech.2005.01.004

  日期：2005.6

  Some novel N- and O-substituted terpenyl pyrimidines 4 (a-j) have been synthesized and screened for in vitro antileishmanial activity profile in promastigote model. Some of the compounds exhibited 100% inhibition at 10 mu g ml(-1) concentration. (c) 2005 Elsevier SAS. All rights reserved.