4-[3-(Difluoromethyl)-5,6-dihydrocyclopenta[c]-pyrazol-1(4h)-yl]-6-methylpyrimidin-2-amine | 1619900-13-8

• 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-[3-(Difluoromethyl)-5,6-dihydrocyclopenta[c]-pyrazol-1(4h)-yl]-6-methylpyrimidin-2-amine
• 英文别名: 4-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]-6-methylpyrimidin-2-amine
• CAS: 1619900-13-8
• 化学式: C₁₂H₁₃F₂N₅
• 分子量: 265.266
• InChiKey: DCKQVQOYTATZBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  69.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-氨基-4-肼基-6-甲基嘧啶 、 在 溶剂黄146 作用下， 生成 4-[3-(Difluoromethyl)-5,6-dihydrocyclopenta[c]-pyrazol-1(4h)-yl]-6-methylpyrimidin-2-amine 、 4-(3-(difluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-2(4H)-yl)-6-methylpyrimidin-2-amine
  参考文献：
  名称：

  Fluoroalkyl-substituted lithium 1,3-diketonates in reactions with hetarylhydrazines

  摘要：

  Fluoroalkyl-substituted lithium 1,3-diketonates reacted with 4-hydrazinyl-6-methylpyrimidin-2-amine, 2,6-dimethylpyrimidin-4-ylhydrazine, 7-fluoroquinoxalin-6-ylhydrazine, and benzothiazol-2-ylhydrazine to give the corresponding hetaryl-substituted pyrazoles. The molecular and crystal structures of 4-methyl-6-(3-methyl-5-trifluoromethyl-1H-pyrazol-1-yl)pyrimidin-2-amine and 4-(5-difluoromethyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)-6-methylpyrimidin-2-amine were determined by X-ray analysis.

  DOI：

  10.1134/s1070428014060013

文献信息

• Fluoroalkyl-substituted lithium 1,3-diketonates in reactions with hetarylhydrazines
  作者：N. S. Boltacheva、L. N. Dianova、P. A. Slepukhin、V. I. Filyakova、V. A. Bakulev、V. N. Charushin

  DOI：10.1134/s1070428014060013

  日期：2014.6

  Fluoroalkyl-substituted lithium 1,3-diketonates reacted with 4-hydrazinyl-6-methylpyrimidin-2-amine, 2,6-dimethylpyrimidin-4-ylhydrazine, 7-fluoroquinoxalin-6-ylhydrazine, and benzothiazol-2-ylhydrazine to give the corresponding hetaryl-substituted pyrazoles. The molecular and crystal structures of 4-methyl-6-(3-methyl-5-trifluoromethyl-1H-pyrazol-1-yl)pyrimidin-2-amine and 4-(5-difluoromethyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)-6-methylpyrimidin-2-amine were determined by X-ray analysis.