2-cyclohexylamino-6-methyl-4(3H)-pyrimidinone

• 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: 2-cyclohexylamino-6-methyl-4(3H)-pyrimidinone
• 英文别名: 6-methyl-2-cyclohexylaminopyrimidin-4(3H)-one；2-(cyclohexylamino)-6-methylpyrimidin-4(3H)-one；2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one
• 化学式: C₁₁H₁₇N₃O
• mdl: MFCD02348433
• 分子量: 207.275
• InChiKey: NNQUCVBLPQBNAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.636
• 拓扑面积：
  53.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-cyclohexylamino-6-methyl-4(3H)-pyrimidinone 在 盐酸 、 三氯氧磷 作用下， 反应 1.0h， 生成 6-methyl-4-phenylamino-2-cyclohexylaminopyrimidine hydrochloride
  参考文献：
  名称：

  Effect of halogen atom localization on the level of antimycobacterial activity of 2-amino-4-arylamino-6-methylpyrimidines

  摘要：

  Several hydrochlorides of 2-alkyl(cycloalkyl, aralkyl)-5-bromo-6-methyl-4-phenylaminopyrimidines have been synthesized as isosteric analogs of the corresponding 2-alkyl(cycloalkyl, aralkyl)-4-(3-bromophenyl)amino-6-methylpyrimidine hydrochlorides. Moving the bromine atom from the benzene ring into the heterocycle is accompanied by a significant decrease in the level of antimycobacterial activity.

  DOI：

  10.1134/s1070363210040237
• 作为产物：
  描述：

  甲基硫脲嘧啶 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 3.0h， 生成 2-cyclohexylamino-6-methyl-4(3H)-pyrimidinone
  参考文献：
  名称：

  摘要：

  6-Methyl-4(3H)-pyrimidinones containing 2-alkyl-, 2-cycloalkyl-, and 2-arylalkylamino groups were synthesized and brominated to obtain 5-bromo derivatives.

  DOI：

  10.1023/a:1024926507658

文献信息

• Botta, M.; Angelis, F. De; Finizia, G., Synthetic Communications, 1985, vol. 15, p. 27 - 34
  作者：Botta, M.、Angelis, F. De、Finizia, G.、Gambacorta, A.、Nicoletti, R.

  DOI：——

  日期：——
• BOTTA, M.;DE, ANGELIS, F.;FINIZIA, G.;GAMBACORTA, A.;NICOLETTI, R., SYNTH. COMMUN., 1985, 15, N 1, 27-34
  作者：BOTTA, M.、DE, ANGELIS, F.、FINIZIA, G.、GAMBACORTA, A.、NICOLETTI, R.

  DOI：——

  日期：——
• Effect of halogen atom localization on the level of antimycobacterial activity of 2-amino-4-arylamino-6-methylpyrimidines
  作者：A. V. Erkin、V. I. Krutikov

  DOI：10.1134/s1070363210040237

  日期：2010.4

  Several hydrochlorides of 2-alkyl(cycloalkyl, aralkyl)-5-bromo-6-methyl-4-phenylaminopyrimidines have been synthesized as isosteric analogs of the corresponding 2-alkyl(cycloalkyl, aralkyl)-4-(3-bromophenyl)amino-6-methylpyrimidine hydrochlorides. Moving the bromine atom from the benzene ring into the heterocycle is accompanied by a significant decrease in the level of antimycobacterial activity.
• ——
  作者：A. V. Erkin、V. I. Krutikov、N. I. Pavlovich

  DOI：10.1023/a:1024926507658

  日期：——

  6-Methyl-4(3H)-pyrimidinones containing 2-alkyl-, 2-cycloalkyl-, and 2-arylalkylamino groups were synthesized and brominated to obtain 5-bromo derivatives.