2-(N-cyano-N-methylamino)-4-chloro-5-(2,4,6-trifluorophenyl)-6-(1,1,1-trifluoroprop-2-ylamino)-pyrimidine | 381214-82-0

• 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-(N-cyano-N-methylamino)-4-chloro-5-(2,4,6-trifluorophenyl)-6-(1,1,1-trifluoroprop-2-ylamino)-pyrimidine
• 英文别名: [4-Chloro-5-(2,4,6-trifluorophenyl)-6-(1,1,1-trifluoropropan-2-ylamino)pyrimidin-2-yl]-methylcyanamide
• CAS: 381214-82-0
• 化学式: C₁₅H₁₀ClF₆N₅
• 分子量: 409.721
• InChiKey: RHRFJMVDMARPOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  64.8
• 氢给体数：
  1
• 氢受体数：
  11

文献信息

• Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines
  申请人：BASF Aktiengesellschaft

  公开号：US20030088096A1

  公开（公告）日：2003-05-08

  Pyrimidines of formula I 1 in which R 1 represents hydrogen or alkyl, haloalkyl, alkenyl, alkynyl, alkadienyl, alkoxy, cycloalkyl, phenyl, or 5- or 6-membered heteroaryl or 5- or 6-membered heterocyclyl, containing one to four nitrogen atoms or one to three nitrogen atoms and one sulfur or oxygen atom, or tri-alkyl-silyl, formyl or alkoxycarbonyl, wherein R 1 groups are unsubstituted or substituted as defined in the specification; R 2 represents phenyl, cycloalkyl or 5- or 6-membered heteroaryl, containing one to four nitrogen atoms or one to three nitrogen atoms and one sulfur or oxygen atom, which are unsubstituted or substituted; R 3 represents hydrogen, halogen or alkyl, alkoxy, alkylthio, alkylamino or dialkylamino; which are unsubstituted or substituted; R 4 represents hydrogen or alkyl, alkenyl or alkynyl; which are unsubstituted or substituted; and x represents O, S, NRS or a single bond, wherein R 5 represents hydrogen or alkyl; or R 1 and R 5 together with the interjacent nitrogen atom form a heterocyclic ring; processes and intermediates for preparing these compounds, to compositions comprising them and to their use for controlling harmful fungi.

  式I1中的嘧啶，其中R1代表氢或烷基，卤代烷基，烯基，炔基，烷二烯基，烷氧基，环烷基，苯基，或含有一到四个氮原子或一到三个氮原子和一个硫或氧原子的5-或6-成员杂芳基或5-或6-成员杂环烷基，或三烷基硅基，甲酰基或烷氧羰基，其中R1基团未取代或如规范中所定义的取代；R2代表苯基，环烷基或含有一到四个氮原子或一到三个氮原子和一个硫或氧原子的5-或6-成员杂芳基，未取代或取代；R3代表氢，卤素或烷基，烷氧基，烷硫基，烷基氨基或二烷基氨基；未取代或取代；R4代表氢或烷基，烯基或炔基；未取代或取代；x代表O，S，NRS或单键，其中R5代表氢或烷基；或R1和R5与相邻的氮原子一起形成杂环环；用于制备这些化合物的方法和中间体，包括它们的组合物以及用于控制有害真菌的用途。
• FUNGICIDAL 5-PHENYL SUBSTITUTED 2-(CYANOAMINO) PYRIMIDINES
  申请人：PEES Klaus-Juergen

  公开号：US20070208037A1

  公开（公告）日：2007-09-06

  Pyrimidines of formula I in which R 1 represents hydrogen or alkyl, haloalkyl, alkenyl, alkynyl, alkadienyl, alkoxy, cycloalkyl, phenyl, or 5- or 6-membered heteroaryl or 5- or 6-membered heterocyclyl, containing one to four nitrogen atoms or one to three nitrogen atoms and one sulfur or oxygen atom, or tri-alkyl-silyl, formyl or alkoxycarbonyl, wherein R 1 groups are unsubstituted or substituted as defined in the specification; R 2 represents phenyl, cycloalkyl or 5- or 6-membered heteroaryl, containing one to four nitrogen atoms or one to three nitrogen atoms and one sulfur or oxygen atom, which are unsubstituted or substituted; R 3 represents hydrogen, halogen or alkyl, alkoxy, alkylthio, alkylamino or dialkylamino; which are unsubstituted or substituted; R 4 represents hydrogen or alkyl, alkenyl or alkynyl; which are unsubstituted or substituted; and X represents O, S, NR 5 or a single bond, wherein R 5 represents hydrogen or alkyl; or R 1 and R 5 together with the interjacent nitrogen atom form a heterocyclic ring; processes and intermediates for preparing these compounds, to compositions comprising them and to their use for controlling harmful fungi.

  公式I中的嘧啶，其中R1代表氢或烷基，卤代烷基，烯基，炔基，烯二烃基，烷氧基，环烷基，苯基或含有一到四个氮原子或一到三个氮原子和一个硫或氧原子的5-或6-成员杂原芳基或5-或6-成员杂环烷基，或三烷基硅基，甲酰基或烷氧羰基，其中R1基团未被取代或根据规范中的定义被取代；R2代表苯基，环烷基或5-或6-成员杂原芳基，包含一到四个氮原子或一到三个氮原子和一个硫或氧原子，未被取代或被取代；R3代表氢，卤素或烷基，烷氧基，烷硫基，烷基氨基或二烷基氨基；未被取代或被取代；R4代表氢或烷基，烯基或炔基；未被取代或被取代；X代表O，S，NR5或单键，其中R5代表氢或烷基；或R1和R5与相邻氮原子一起形成杂环环；制备这些化合物的过程和中间体，包含它们的组合物以及它们用于控制有害真菌的用途。
• Triazolopyrimidine intermediate compounds for fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines
  申请人：BASF Aktiengesellschaft

  公开号：EP1577312A1

  公开（公告）日：2005-09-21

  Compounds of formula II wherein R1, R2, R3 and X are as defined in the specification.

  式 II 的化合物 其中 R1、R2、R3 和 X 如说明书中所定义。
• US6632821B2
  申请人：——

  公开号：US6632821B2

  公开（公告）日：2003-10-14
• US6943252B2
  申请人：——

  公开号：US6943252B2

  公开（公告）日：2005-09-13