N-(4-Hydroxy-6-methyl-pyrimidin-2-yl)-N'-m-tolyl-guanidine | 371922-29-1

• 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: N-(4-Hydroxy-6-methyl-pyrimidin-2-yl)-N'-m-tolyl-guanidine
• 英文别名: N-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)-N''-(3-methylphenyl)guanidine；2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(3-methylphenyl)guanidine
• CAS: 371922-29-1
• 化学式: C₁₃H₁₅N₅O
• 分子量: 257.295
• InChiKey: GLAHTOFLDQJCPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  91.9
• 氢给体数：
  3
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-(4-Hydroxy-6-methyl-pyrimidin-2-yl)-N'-m-tolyl-guanidine 在 三氯氧磷 作用下， 生成 N-(4-Chloro-6-methyl-pyrimidin-2-yl)-N'-m-tolyl-guanidine
  参考文献：
  名称：

  Synthesis and structure activity relationship of guanidines as NPY Y5 antagonists

  摘要：

  A series of bis-aryl substituted guanidines have been discovered as potent NPY Y5 antagonists. The SAR and in vitro metabolic stability of these compounds are discussed. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.03.012
• 作为产物：
  描述：

  3-甲基苯胺 、 2-氰基氨基-4-羟基-6-甲基嘧啶 以 乙二醇乙醚 为溶剂， 生成 N-(4-Hydroxy-6-methyl-pyrimidin-2-yl)-N'-m-tolyl-guanidine
  参考文献：
  名称：

  Synthesis and structure activity relationship of guanidines as NPY Y5 antagonists

  摘要：

  A series of bis-aryl substituted guanidines have been discovered as potent NPY Y5 antagonists. The SAR and in vitro metabolic stability of these compounds are discussed. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.03.012

文献信息

• Synthesis and structure activity relationship of guanidines as NPY Y5 antagonists
  作者：Christopher J Aquino、Joshi M Ramanjulu、Dennis Heyer、Alejandro J Daniels、Fabio Palazzo、Milana Dezube

  DOI：10.1016/j.bmc.2004.03.012

  日期：2004.5

  A series of bis-aryl substituted guanidines have been discovered as potent NPY Y5 antagonists. The SAR and in vitro metabolic stability of these compounds are discussed. (C) 2004 Elsevier Ltd. All rights reserved.