1-(4-(4,6-dimethylpyrimidin-2-ylthio)phenyl)-3-phenylurea

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1-(4-(4,6-dimethylpyrimidin-2-ylthio)phenyl)-3-phenylurea
• 英文别名: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-N'-phenylurea；1-[4-(4,6-Dimethylpyrimidin-2-yl)sulfanylphenyl]-3-phenylurea
• 化学式: C₁₉H₁₈N₄OS
• 分子量: 350.444
• InChiKey: WQIRULKPFFTAMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  92.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-氯-6-三氟甲基烟酸 、 异氰酸苯酯 以 二氯甲烷 为溶剂， 反应 1.0h， 以86%的产率得到1-(4-(4,6-dimethylpyrimidin-2-ylthio)phenyl)-3-phenylurea
  参考文献：
  名称：

  Synthesis and antitumor activity of ureas containing pyrimidinyl group

  摘要：

  A novel series of ureas containing pyrimidinyl group were designed and synthesized. Some of the prepared compounds showed potential cytotoxicity against several human cancer cell lines. From the structure-activity relationships we may conclude that introduction of a sulfide bridge between phenyl and pyrimidinyl rings would be critical for their biological activities. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.11.026

文献信息

• Acylaminoaryloxy and arylthio pyrimidines as herbicides
  申请人：ICI Americas Inc.

  公开号：US04888047A1

  公开（公告）日：1989-12-19

  As new compounds, acylaminoaryloxy and arylthio pyrimidines having the formula ##STR1## wherein A is oxygen or sulfur; M is CH or N; X is hydrogen, lower alkyl, halo, methoxy, alkoxy, C.sub.1 -C.sub.3 alkylthio, cyano, carbomethoxy or trifluoromethyl; ##STR2## wherein R' is C.sub.1 -C.sub.8 straight, branched-chain or halo-alkyl, aryl; and R is hydrogen, C.sub.1 -C.sub.8 straight or branched chain alkyl, C.sub.5 or C.sub.6 cycloalkyl or aryl.

  作为新化合物，具有以下结构式的酰胺基芳氧基和芳基硫代嘧啶：其中A为氧或硫；M为CH或N；X为氢、低级烷基、卤素、甲氧基、烷氧基、C.sub.1 -C.sub.3烷基硫、氰基、羰甲氧基或三氟甲基；其中R'为C.sub.1 -C.sub.8直链、支链或卤代烷基、芳基；R为氢、C.sub.1 -C.sub.8直链或支链烷基、C.sub.5或C.sub.6环烷基或芳基。
• Acylaminoaryloxy and arylthio pyrimidines
  申请人：STAUFFER CHEMICAL COMPANY

  公开号：EP0219835A2

  公开（公告）日：1987-04-29

  As new compounds, acyiaminoaryloxy and arylthio pyrimidines having the formula wherein A is oxygen or sulfur; M is CH or N; X is hydrogen, lower alkyl, halo, methoxy, alkoxy, C,-C3 alkylthio, cyano, carbomethoxy or trifluoromethyl; Z is wherein R' is C1-C8 straight, branched-chain or halo-alkyl, aryl; and R is hydrogen, C1-C8 straight or branched chain alkyl, C5 or C6 cycloalkyl or ary

  作为新化合物，酰氨基芳氧基和芳硫基嘧啶具有以下式子 其中 A 是氧或硫；M 是 CH 或 N；X 是氢、低级烷基、卤代、甲氧基、烷氧基、C,-C3 烷硫基、氰基、碳甲氧基或三氟甲基；Z 是 其中 R' 是 C1-C8 直链、支链或卤代烷基、芳基；R 是氢、C1-C8 直链或支链烷基、C5 或 C6 环烷基或芳基
• US4888047A
  申请人：——

  公开号：US4888047A

  公开（公告）日：1989-12-19
• Synthesis and antitumor activity of ureas containing pyrimidinyl group
  作者：Chuanfei Jin、Yong-Ju Liang、Hongwu He、Liwu Fu

  DOI：10.1016/j.ejmech.2010.11.026

  日期：2011.1

  A novel series of ureas containing pyrimidinyl group were designed and synthesized. Some of the prepared compounds showed potential cytotoxicity against several human cancer cell lines. From the structure-activity relationships we may conclude that introduction of a sulfide bridge between phenyl and pyrimidinyl rings would be critical for their biological activities. (C) 2010 Elsevier Masson SAS. All rights reserved.