4-methyl-N-(1-phenylethyl)pyrimidin-2-amine | 682788-86-9

• 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-methyl-N-(1-phenylethyl)pyrimidin-2-amine
• CAS: 682788-86-9
• 化学式: C₁₃H₁₅N₃
• 分子量: 213.282
• InChiKey: FVGSRYPYCCJWRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  37.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-methyl-N-(1-phenylethyl)pyrimidin-2-amine 、 6-苯基-咪唑并[2,1-b]噻唑-5-甲醛 生成 N-(1-phenylethyl)-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)vinyl]pyrimidin-2-amine 、
  参考文献：
  名称：

  Discovery of imidazole vinyl pyrimidines as a novel class of kinase inhibitors which inhibit Tie-2 and are orally bioavailable

  摘要：

  Tie-2 is a receptor tyrosine kinase which is involved in angiogenesis and thereby growth of human tumours. The discovery and SAR of a novel class of imidazole-vinyl-pyrimidine kinase inhibitors, which inhibit Tie-2 in vitro is reported. Their synthesis was carried out by condensation of imidazole aldehydes with methyl pyrimidines. These compounds are lead-like, with low molecular weight, good physical properties and oral bioavailability. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.06.106

文献信息

• Structural interaction fingerprint
  申请人：Deng Zhan

  公开号：US20070020642A1

  公开（公告）日：2007-01-25

  Disclosed is a method for representing and analyzing 3D target molecule-ligand intermolecular interactions. The method generates structural interaction fingerprints (SIFts) that convert three-dimensional structural interaction information into linear information strings that contains a plurality of information blocks; each of which in turn containing a plurality of information units. By assigning to each information unit a calculated value to represent the characteristic of a set of intermolecular interactions occurring at each selected position (i.e., a position on the target molecule at which intermolecular interaction occurs), a SIFt of the target molecule-ligand complex is constructed.
• US8829035B2
  申请人：——

  公开号：US8829035B2

  公开（公告）日：2014-09-09