N-(1-tert-butyl-1H-pyrazol-5-yl)-2-chloro-6-methylpyrimidine-4-amine

• 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: N-(1-tert-butyl-1H-pyrazol-5-yl)-2-chloro-6-methylpyrimidine-4-amine
• 英文别名: N-(2-tert-butylpyrazol-3-yl)-2-chloro-6-methylpyrimidin-4-amine
• 化学式: C₁₂H₁₆ClN₅
• 分子量: 265.746
• InChiKey: VJUCZOYAXAGLFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  55.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  甲醇 、 N-(1-tert-butyl-1H-pyrazol-5-yl)-2-chloro-6-methylpyrimidine-4-amine 、 一氧化碳 在 1,1'-双(二苯基膦)二茂铁 、 palladium diacetate 碳酸氢钠 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 100.0 ℃ 、303.99 kPa 条件下， 反应 16.0h， 生成 methyl 4-((1-tert-butyl-1H-pyrazol-5-yl)amino)-6-methylpyrimidine-2-carboxylate
  参考文献：
  名称：

  AMINOPYRIMIDINE DERIVATIVES HAVING AURORA-A-SELECTIVE INHIBITORY ACTIVITY

  摘要：

  公开号：

  EP2017279B1
• 作为产物：
  描述：

  2,4-二氯-6-甲基嘧啶 、 1-叔丁基-1H-吡唑-5-胺 在 tris(dibenzylideneacetone)dipalladium(0) chloroform complex potassium phosphate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 1,4-二氧六环 为溶剂， 反应 12.0h， 生成 N-(1-tert-butyl-1H-pyrazol-5-yl)-2-chloro-6-methylpyrimidine-4-amine
  参考文献：
  名称：

  AMINOPYRIMIDINE DERIVATIVES HAVING AURORA-A-SELECTIVE INHIBITORY ACTIVITY

  摘要：

  公开号：

  EP2017279B1

文献信息

• Aminopyridine derivatives having aurora a selective inhibitory action
  申请人：MSD K.K.

  公开号：US08101621B2

  公开（公告）日：2012-01-24

  The present invention relates to a compound of general formula I: wherein: n1 and n2 are the same or different, and are 0 or 1; R is aryl, heteroaryl, etc.; Re is hydrogen atom or lower alkyl; two groups selected from four groups consisting of (i) either one of Ra1 and Ra1′, (ii) either one of Ra2 and Ra2′, (iii) either one of Rb1 and Rb1′, and (iv) either one of Rb2 and Rb2′, are combined to form —(CH2)n— where n is 1, 2 or 3; and among Ra1, Ra1′, Ra2, Ra2′, Rb1, Rb1′, Rb2 and Rb2′, the groups which do not form —(CH2)n— are each independently hydrogen atom, etc.; X1, X2, X3 and X4 are each independently CH, N, etc.; Y1, Y2, Y3 and Y4 are the same or different and are CH or N, etc.; W is a 5-membered aromatic heterocyclic group, or a pharmaceutically acceptable salt or ester thereof.

  本发明涉及一种通式I的化合物：其中：n1和n2相同或不同，为0或1；R为芳基，杂环芳基等；Re为氢原子或低碳基；从四个组成的Ra1和Ra1'、Ra2和Ra2'、Rb1和Rb1'、Rb2和Rb2'中选择两个组合成—(CH2)n—，其中n为1、2或3；在Ra1、Ra1'、Ra2、Ra2'、Rb1、Rb1'、Rb2和Rb2'中，不形成—(CH2)n—的基团各自独立地为氢原子等；X1、X2、X3和X4各自独立地为CH、N等；Y1、Y2、Y3和Y4相同或不同，为CH或N等；W为5-成员芳香杂环基，或其药学上可接受的盐或酯。
• Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action
  申请人：Kato Tetsuya

  公开号：US20090192174A1

  公开（公告）日：2009-07-30

  The present invention relates to a compound of general formula I: wherein: n 1 and n 2 are the same or different, and are 0 or 1; R is aryl, heteroaryl, etc.; R e is hydrogen atom or lower alkyl; two groups selected from four groups consisting of (i) either one of R a1 and R a1 ′, (ii) either one of R a2 and R a2 ′, (iii) either one of R b1 and R b1 ′, and (iv) either one of R b2 and R b2 ′, are combined to form —(CH 2 ) n — where n is 1, 2 or 3; and among R a1 , R a1 ′, R a2 , R a2 ′, R b1 , R b1 ′, R b2 and R b2 ′, the groups which do not form —(CH 2 ) n — are each independently hydrogen atom, etc.; X 1 , X 2 , X 3 and X 4 are each independently CH, N, etc.; Y 1 , Y 2 , Y 3 and Y 4 are the same or different and are CH or N, etc.; W is a 5-membered aromatic heterocyclic group, or a pharmaceutically acceptable salt or ester thereof.

  本发明涉及一种通式I的化合物： 其中：n1和n2相同或不同，且均为0或1；R为芳基，杂芳基等；Re为氢原子或低碳基；从由(i) Ra1和Ra1'中的任意一个，(ii) Ra2和Ra2'中的任意一个，(iii) Rb1和Rb1'中的任意一个，以及(iv) Rb2和Rb2'中的任意一个四个基中选择两个基，组合形成—(CH2)n—，其中n为1、2或3；在Ra1、Ra1'、Ra2、Ra2'、Rb1、Rb1'、Rb2和Rb2'中不形成—(CH2)n—的基各自独立地为氢原子等；X1、X2、X3和X4各自独立地为CH、N等；Y1、Y2、Y3和Y4相同或不同，且为CH或N等；W为5-成员芳香杂环基，或其药学上可接受的盐或酯。
• NOVEL AMINOPYRIDINE DERIVATIVE HAVING AURORA-A-SELECTIVE INHIBITORY ACTIVITY
  申请人：BANYU PHARMACEUTICAL CO., LTD.

  公开号：EP2017279A1

  公开（公告）日：2009-01-21

  The present invention relates to a compound of general formula I: wherein: n1 and n2 are the same or different, and are 0 or 1; R is aryl, heteroaryl, etc.; Re is hydrogen atom or lower alkyl; two groups selected from four groups consisting of (i) either one of Ra1 and Ra1', (ii) either one of Ra2 and Ra2', (iii) either one of Rb1 and Rb1', and (iv) either one of Rb2 and Rb2', are combined to form -(CH2)n- where n is 1, 2 or 3; and among Ra1, Ra1', Ra2, Ra2', Rb1, Rb1', Rb2 and Rb2', the groups which do not form -(CH2)n- are each independently hydrogen atom, etc.; X1, X2, X3 and X4 are each independently CH, N, etc.; Y1, Y2, Y3 and Y4 are the same or different and are CH or N, etc.; W is a 5-membered aromatic heterocyclic group, or a pharmaceutically acceptable salt or ester thereof.

  本发明涉及通式 I 的化合物： 其中 n1 和 n2 相同或不同，且为 0 或 1；R 为芳基、杂芳基等。Re为氢原子或低级烷基；选自以下四个基团的两个基团结合形成-(CH2)n-，其中 n 为 1、2 或 3：(i) Ra1 和 Ra1'中的任一个；(ii) Ra2 和 Ra2'中的任一个；(iii) Rb1 和 Rb1'中的任一个；(iv) Rb2 和 Rb2'中的任一个；在 Ra1、Ra1'、Ra2、Ra2'、Rb1、Rb1'、Rb2 和 Rb2'中，不形成-(CH2)n-的基团各自独立地为氢原子等。X1、X2、X3 和 X4 各自独立地为 CH、N 等；Y1、Y2、Y3 和 Y4 相同或不同，且为 CH 或 N 等；W 为 5 元芳香杂环基团、 或其药学上可接受的盐或酯。
• US8101621B2
  申请人：——

  公开号：US8101621B2

  公开（公告）日：2012-01-24
• AMINOPYRIMIDINE DERIVATIVES HAVING AURORA-A-SELECTIVE INHIBITORY ACTIVITY
  申请人：MSD K.K.

  公开号：EP2017279B1

  公开（公告）日：2013-09-04