2-Ethylamino-4,6-dichloro-5-methylthio-pyrimidine | 40765-74-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-Ethylamino-4,6-dichloro-5-methylthio-pyrimidine
• 英文别名: (4,6-dichloro-5-methylsulfanyl-pyrimidin-2-yl)-ethyl-amine；4,6-dichloro-N-ethyl-5-methylsulfanylpyrimidin-2-amine
• CAS: 40765-74-0
• 化学式: C₇H₉Cl₂N₃S
• 分子量: 238.141
• InChiKey: QBXCNNSODJPQAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  63.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Ethylamino-4,6-dichloro-5-methylthio-pyrimidine 在 硫酸 作用下， 以 乙醇 为溶剂， 生成 7-chloro-5-ethylamino-8-methylthioimidazo<1,2-c>pyrimidine
  参考文献：
  名称：

  Synthesis and cytokinin-like activity of 7-chloro-imidazo[1,2-c]pyrimidines

  摘要：

  DOI：

  10.1016/s0031-9422(00)81474-0
• 作为产物：
  描述：

  2,4,6-三氯-5-甲基硫代-嘧啶 、 乙胺 生成 2-Ethylamino-4,6-dichloro-5-methylthio-pyrimidine
  参考文献：
  名称：

  GUEREMY, C.;AUDIAU, F.;UZAN, A.;LE, FUR, G.;LEGER, J. -M.;CARPY, A., J. MED. CHEM., 1982, 25, N 12, 1459-1465

  摘要：

  DOI：

文献信息

• 2-Amino-6-chloro-4-(N-methylpiperazino)pyrimidines, inhibitors of spiroperidol binding
  作者：Claude Gueremy、Francois Audiau、Andre Uzan、Gerard Le Fur、Jean Michel Leger、Alain Carpy

  DOI：10.1021/jm00354a014

  日期：1982.12

  to be related to the 6-chloro-4-(N-methyl-piperazine)pyrimidine structure bearing a NH2 or NHR1 group as a substituent in position 2, provided that R1 was not an alpha branched alkyl group. The nature of the substituent in position 5 is also of importance for the affinity; 2-(benzylamino)-6-chloro-4-(N-methylpiperazino)-5-(methylthio)pyrimidine (22) is the most active member of the series. Molecular

  合成了一系列30个6-氯-2,4-二氨基嘧啶，并作为[3H]螺哌啶醇结合的抑制剂进行了体外测试。对多巴胺受体的亲和力表明与2位上带有NH2或NHR1基团作为取代基的6-氯-4-（N-甲基-哌嗪）嘧啶结构有关，但前提是R1不是α支链烷基组。5位的取代基的性质对于亲和力也很重要。2-（苄氨基）-6-氯-4-（N-甲基哌嗪子基）-5-（甲硫基）嘧啶（22）是该系列中最活跃的成员。通过X射线衍射和PCILO计算分析了三种化合物的分子结构。
• Piperazino-pyrimidines and their use as spasmolytic agents
  申请人：Produits Chimiques Ugine Kuhlmann

  公开号：US04166852A1

  公开（公告）日：1979-09-04

  The compounds of the formula: ##STR1## in which R represents a methyl or methylthio group, X represents a halogen atom or an alkoxy group containing 1 to 5 carbon atoms, Y represents an acylamino group or a substituted or unsubstituted amino group, Z represents a hydrogen atom or a methyl, ethyl, hdroxyethyl or phenyl group, with the exception of 2-methylamino-4-N-methylpiperazino-5-methylthio-6-chloro-pyrimidine; process for their preparation: medicaments comprising such compounds or salts thereof and with pharmaceutically acceptable acids and the use of such compounds or salts in the treatment of human beings.

  该公式化合物为：##STR1## 其中R代表甲基或甲硫基，X代表含有1至5个碳原子的卤素原子或烷氧基，Y代表酰胺基团或取代或未取代的氨基团，Z代表氢原子或甲基、乙基、羟乙基或苯基，但不包括2-甲基氨基-4-N-甲基哌嗪-5-甲硫-6-氯嘧啶；其制备方法：包含此类化合物或其盐以及与药用酸盐一起的药物和这类化合物或盐在治疗人类中的用途。
• 2-(Or4-)amino-5-alkylthio-pyrimidine herbicides
  申请人：Produits Chimiques Ugine Kuhlmann

  公开号：US04528026A1

  公开（公告）日：1985-07-09

  Pyrimidine compounds of the formula: ##STR1## in which R.sub.1 is alkyl, one of X.sub.1, X.sub.2, X.sub.3 is chlorine or bromine and the two others are respectively --NR.sub.1 R.sub.2 and --NR.sub.3 R.sub.4 in which R.sub.2 and R.sub.3 are, independently of one another, hydrogen, alkyl, cycloalkyl, aryl or aryl substituted by alkyl, hydroxy, chlorine, bromine or ##STR2## wherein R is hydrogen or alkyl, or form together with the nitrogen atom to which they are linked a nitrogenous heterocyclic radical other than piperazino and substituted piperazino, R.sub.4 and R.sub.5 are, independently of one another, hydrogen, alkyl, cycloalkyl, aryl or aryl substituted by alkyl, hydroxy, chlorine, bromine or ##STR3## wherein R is as defined above, or form together with the nitrogen atom to which they are linked a nitrogenous heterocyclic radical other than piperazino and substituted piperazino, at least one of the substituents --NR.sub.1 R.sub.2, --NR.sub.3 R.sub.4 being NH.sub.2 or ##STR4## and their salts with mineral or organic acids, are herbicides.

  该化合物的嘧啶类化合物的结构式为：##STR1## 其中R.sub.1是烷基，X.sub.1、X.sub.2、X.sub.3中的一个是氯或溴，另外两个分别是--NR.sub.1 R.sub.2和--NR.sub.3 R.sub.4，其中R.sub.2和R.sub.3独立地是氢、烷基、环烷基、芳基或被烷基、羟基、氯、溴或##STR2##取代的芳基，其中R是氢或烷基，或者与它们连接的氮原子一起形成除哌嗪和取代哌嗪外的氮杂环基团，R.sub.4和R.sub.5独立地是氢、烷基、环烷基、芳基或被烷基、羟基、氯、溴或##STR3##取代的芳基，其中R如上所定义，或者与它们连接的氮原子一起形成除哌嗪和取代哌嗪外的氮杂环基团，至少一个取代基--NR.sub.1 R.sub.2，--NR.sub.3 R.sub.4是NH.sub.2或##STR4##，以及它们与矿物酸或有机酸形成的盐是除草剂。
• US4166852A
  申请人：——

  公开号：US4166852A

  公开（公告）日：1979-09-04
• US4528026A
  申请人：——

  公开号：US4528026A

  公开（公告）日：1985-07-09