N-(4,6-dimethoxy-pyrimidin-2-yl)-thiourea | 102739-57-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-(4,6-dimethoxy-pyrimidin-2-yl)-thiourea
• 英文别名: 4,6-dimethoxy-2-thioureido-pyrimidine；4,6-dimethoxy-pyrimidin-2-yl-thiourea；N-(4,6-dimethoxypyrimidin-2-yl)-thiourea；4,6-dimethoxypyrimidin-2-yl-thiourea；1-(4,6-Dimethoxypyrimidin-2-yl)thiourea；(4,6-dimethoxypyrimidin-2-yl)thiourea
• CAS: 102739-57-1
• 化学式: C₇H₁₀N₄O₂S
• 分子量: 214.248
• InChiKey: BEDLSUGUBUXKDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(4,6-dimethoxy-pyrimidin-2-yl)-thiourea 生成 2-cyanamino-4,6-dimethoxypyrimidine
  参考文献：
  名称：

  DIEHR, H. -J.;FEST, C.;KIRSTEN, R.;KLUTH, J.;MUELLER, K. -H.;PFISTER, T.;+

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氨基-4,6-二甲氧基嘧啶 在 sodium hydroxide 作用下， 以 丙酮 为溶剂， 反应 1.08h， 生成 N-(4,6-dimethoxy-pyrimidin-2-yl)-thiourea
  参考文献：
  名称：

  Synthesis of azinylthioureas and their heterocyclization using α-chloroacetoacetic ester

  摘要：

  DOI：

  10.1007/s10593-006-0097-z

文献信息

• 1-(2-Oxyaminosulphonylphenylsulphonyl)-3-heteroaryl-ureas
  申请人：Bayer Aktiengesellschaft

  公开号：US04666505A1

  公开（公告）日：1987-05-19

  The invention relates to new 1-(2-oxyaminosulphonylphenylsulphonyl)-3-heteroaryl-ureas of the general formula (I) ##STR1## in which R.sup.1 represents an optionally substituted radical from the series comprising alkyl, alkenyl, alkinyl, cycloalkyl, cycloalkylalkyl, aralkyl and aryl, R.sup.2 represents hydrogen or an optionally substituted radical from the series comprising alkyl, alkenyl, alkinyl and aralkyl and R.sup.3 represents an optionally substituted and/or optionally fused six-membered aromatic heterocyclic radical containing at least one nitrogen atom, the following compounds being excluded: 1-(2-methoxyaminosulphonylphenylsulphonyl)-, 1-(2-ethoxyaminosulphonylphenylsulphonyl)-, 1-(2-propoxy-aminosulphonylphenylsulphonyl)-, 1-(2-isopropoxyaminosulphonylphenylsulphonyl)- and 1-(2-butoxyaminosulphonylphenylsulphonyl)-3-(4,6-dimethyl-pyrimidin-2-yl)- urea, -3-(4,6-diethyl-pyrimidin-2-yl)-urea, -3-(4,6-dipropylpyrimidin-2-yl)-urea, -3-(4,6-diisopropyl-pyrimidin-2-yl)-urea and -3-(4,6-dibutyl-pyrimidin-2-yl)-urea, processes for their preparation and their use as herbicides.

  本发明涉及一类新的1-(2-氧氨基磺酰基苯磺酰基)-3-杂芳基脲，其具有通式(I)的结构，其中R1代表一个可选地取代的基团，该基团选自包括烷基、烯基、炔基、环烷基、环烷基烷基、芳烷基和芳基的系列；R2代表氢或一个可选地取代的基团，该基团选自包括烷基、烯基、炔基和芳烷基的系列；R3代表一个可选地取代和/或可选地融合的六元芳香杂环基团，含有至少一个氮原子，排除以下化合物：1-(2-甲氧氨基磺酰基苯磺酰基)-，1-(2-乙氧氨基磺酰基苯磺酰基)-，1-(2-丙氧氨基磺酰基苯磺酰基)-，1-(2-异丙氧氨基磺酰基苯磺酰基)-和1-(2-丁氧氨基磺酰基苯磺酰基)-3-(4,6-二甲基嘧啶-2-基)-脲，-3-(4,6-二乙基嘧啶-2-基)-脲，-3-(4,6-二丙基嘧啶-2-基)-脲，-3-(4,6-二异丙基嘧啶-2-基)-脲和-3-(4,6-二丁基嘧啶-2-基)-脲，以及这些化合物的制备方法和作为除草剂的使用方法。
• 1-(2-oxyaminosulphonylphenylsulphonyl)-3-triazinyl-ureas
  申请人：Bayer Aktiengesellschaft

  公开号：US04820337A1

  公开（公告）日：1989-04-11

  Herbicidally active 1-(2-oxyaminosulphenylphenylsulphonyl)-3-triazinyl-ureas of the formula ##STR1## in which X is nitrogen, Y is nitrogn, Z is C-R.sup.6 and R.sup.1, R.sup.2, R.sup.4 and R.sup.6 are various organic radicals.

  具有除草活性的1-(2-氧氨基磺酰基苯磺酰基)-3-三嗪基脲，其分子式为##STR1##，其中X是氮，Y是氮，Z是C-R.sup.6，而R.sup.1、R.sup.2、R.sup.4和R.sup.6是各种有机基团。
• Synthesis and evaluation of a new series of substituted acyl(thio)urea and thiadiazolo [2,3-a] pyrimidine derivatives as potent inhibitors of influenza virus neuraminidase
  作者：Chuanwen Sun、Xiaodong Zhang、Hai Huang、Pei Zhou

  DOI：10.1016/j.bmc.2006.08.034

  日期：2006.12

  A series of substituted acyl(thio)urea and 2H-1,2,4-thiadiazolo [2,3-a] pyrimidine derivatives were prepared and both of their cell culture and enzymatic activity toward influenza virus were tested. Their in vitro neuraminidase inhibitory activities were in good agreement with the corresponding activities in cultured cells and they were evaluated as potent neuraminidase inhibitors. Of the analogues

  制备了一系列取代的酰基（硫）脲和2H-1,2,4-噻二唑[2,3-a]嘧啶衍生物，并测试了它们的细胞培养和对流感病毒的酶活性。它们的体外神经氨酸酶抑制活性与培养细胞中的相应活性高度吻合，并且被评价为有效的神经氨酸酶抑制剂。在显示IC（50）s <0.1microM的类似物中，有16和60被进一步研究，认为它们具有未来发展的最大潜力。描述了代表性化合物的分子对接工作，以提供对其作用机理的更多见解，并进一步使本文中该新系列的观察合理化，该新系列代表了新型的高效和选择性的流感病毒抑制剂。
• Sulphonyliso(thio)urea derivatives and herbicidal use thereof
  申请人：Bayer Aktiengesellschaft

  公开号：US04840661A1

  公开（公告）日：1989-06-20

  The invention relates relates to new sulphonyliso(thio)-urea derivatives of the general formula (I) ##STR1## in which R.sup.1 represent an optionally substituted radical from the series comprising alkyl, aralkyl, aryl and heteroaryl R.sup.2 represents an optionally substituted and/or optionally fused 6-membered aromatic heterocyclic radial containing at least one nitrogen atom, R.sup.3 represents an optically substituted aromatic or heteroaromatic radical, X represents oxygen or sulphur and M represents hydrogen or an equivalent of a metal, and adducts of compounds of the formula (I) with strong acids, processes for their prepartion, and their use as herbicides.

  该发明涉及一般式（I）的新磺酰基异（硫）脲衍生物，其中R.sup.1代表从包括烷基、芳基、芳基烷和杂环芳基的系列中选择性取代的基团，R.sup.2代表含有至少一个氮原子的选择性取代和/或选择性融合的6元芳香杂环基团，R.sup.3代表选择性取代的芳香或杂芳基团，X代表氧或硫，M代表氢或金属的等效物，以及一般式（I）化合物与强酸的加合物，其制备方法，以及作为除草剂的用途。
• Benzolactamsultams
  申请人：Bayer Aktiengesellschaft

  公开号：US04645528A1

  公开（公告）日：1987-02-24

  The invention relates to novel benzolactamsultams of the general formula (I) ##STR1## in which R.sup.1 represents an optionally substituted radical from the series comprising alkyl, alkenyl, alkinyl, cycloalkyl, cycloalkylalkyl, aralkyl and aryl, R.sup.2 represents hydrogen or an optionally substituted radical from the series comprising alkyl, alkenyl, alkinyl and aralkyl and R.sup.3 represents the radical ##STR2## wherein R.sup.4 represents hydrogen, hydroxy, halogen or an optionally substituted radical from the series comprising alkyl, alkoxy and alkylthio, R.sup.5 represents hydrogen, halogen, cyano, formyl or an optionally substituted radical from the series comprising alkyl, alkylcarbonyl and alkoxycarbonyl and R.sup.6 represents hydrogen, amino or an optionally substituted radical from the series comprising alkyl, alkoxy, alkylamino and dialkylamino, with the proviso that R.sup.4 and R.sup.6 do not simultaneously represent methyl, a process for their preparation and their use as herbicides.

  本发明涉及一种新型苯并内酰胺磺酰胺，其一般式为（I）##STR1## 其中，R.sup.1代表选自以下系列的可选取代基团：烷基、烯基、炔基、环烷基、环烷基烷基、芳基烷基和芳基；R.sup.2代表氢或选自以下系列的可选取代基团：烷基、烯基、炔基和芳基烷基；R.sup.3代表基团##STR2## 其中，R.sup.4代表氢、羟基、卤素或选自以下系列的可选取代基团：烷基、烷氧基和烷硫基；R.sup.5代表氢、卤素、氰基、甲酰基或选自以下系列的可选取代基团：烷基、烷基羰基和烷氧羰基；R.sup.6代表氢、氨基或选自以下系列的可选取代基团：烷基、烷氧基、烷基氨基和二烷基氨基，但R.sup.4和R.sup.6不能同时代表甲基。本发明还涉及一种制备该化合物的方法以及其作为除草剂的用途。