1-(2-furylmethyl)-5-(4,6-dimethylpyrimidin-2-ylamino)-5-trifluoromethyl-5,7-dihydro-1H-pyrrolo-[2,3-d]pyrimidine-2,4,6(3H)-trione | 1224164-70-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-(2-furylmethyl)-5-(4,6-dimethylpyrimidin-2-ylamino)-5-trifluoromethyl-5,7-dihydro-1H-pyrrolo-[2,3-d]pyrimidine-2,4,6(3H)-trione
• 英文别名: 5-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(furan-2-ylmethyl)-2-hydroxy-5-(trifluoromethyl)-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-4,6-dione；5-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(furan-2-ylmethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione
• CAS: 1224164-70-8
• 化学式: C₁₈H₁₅F₃N₆O₄
• 分子量: 436.35
• InChiKey: IPLRTQLUYBDNRR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  130
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  6-amino-1-furfuryluracil 、 methyl 2-[(4,6-dimethylpyrimidin-2-yl)imino]-3,3,3-trifluoropropanoate 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以73%的产率得到1-(2-furylmethyl)-5-(4,6-dimethylpyrimidin-2-ylamino)-5-trifluoromethyl-5,7-dihydro-1H-pyrrolo-[2,3-d]pyrimidine-2,4,6(3H)-trione
  参考文献：
  名称：

  Methyl trifluoropyruvate N-(pyrimidin-2-yl)imines in cyclocondensation reactions with 1,3-binucleophilic reagents

  摘要：

  Cyclocondensation reactions of methyl trifluoropyruvate N-(pyrimidin-2-yl)imines with N-substituted ureas, N-benzylbenzamidine, 2-aminothiazoline, methyl 3-aminocrotonate, and 6-aminouracils leading to imidazolidine-2,4-diones, 3,5-dihydroimidazol-4-ones, 2,3-dihydroimidazo[2,1-d][1,3]thiazol-5(6H)-one, 4,5-dihydro-1H-pyrroles, and 5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-2,4,6-triones have been studied.

  DOI：

  10.1007/s10593-013-1265-6

文献信息

• Methyl trifluoropyruvate N-(pyrimidin-2-yl)imines in cyclocondensation reactions with 1,3-binucleophilic reagents
  作者：V. B. Sokolov、A. Yu. Aksinenko、T. A. Epishina、T. V. Goreva

  DOI：10.1007/s10593-013-1265-6

  日期：2013.6

  Cyclocondensation reactions of methyl trifluoropyruvate N-(pyrimidin-2-yl)imines with N-substituted ureas, N-benzylbenzamidine, 2-aminothiazoline, methyl 3-aminocrotonate, and 6-aminouracils leading to imidazolidine-2,4-diones, 3,5-dihydroimidazol-4-ones, 2,3-dihydroimidazo[2,1-d][1,3]thiazol-5(6H)-one, 4,5-dihydro-1H-pyrroles, and 5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-2,4,6-triones have been studied.