CAS: 54568-11-5; 4,5,6-Trimethylpyrimidin-2-Amine

该化合物是一种替代火利米丁衍生物,其特征为4,5和6个甲基组,其位置为4,5和6个,在2个位置为1个地雷功能组.这一结构具有独特的反应性,使其成为制药和农用化学合成中有价值的中间体.其呆滞和电子特性加强了核生殖替代和金属催化联动反应中的选择性.复合物在标准条件下表现出稳定性,便利处理和储存.其定义明确的分子框架有利于建设复杂的环流系统,特别是药用化学系统,以开发有针对性的生物活性分子.高纯度可用于确保研究和工业应用的再生性.

英文名称4,5,6-Trimethylpyrimidin-2-Amine
中文名称4,5,6-三甲基嘧啶-2(1H)-亚胺
IUPAC名称4,5,6-trimethylpyrimidin-2-amine
其它别名4,5,6-三甲基嘧啶-2-胺; 4,5,6-Trimethylpyrimidin-2-Amine
CAS编号54568-11-5
MFCD编号:MFCD08720546
EINECS号:109-549-1
分子式:C7H11N3分子量:137.19
产品CID: 2501378
产品分类有机原料→分子砌块→芳杂环类化合物→嘧啶类化合物

相似结构搜索
InChIKey: PGKDWIZGAJVLNB-UHFFFAOYSA-N
InChI=1S/C7H11N3/c1-4-5(2)9-7(8)10-6(4)3/h1-3H3,(H2,8,9,10)
计算化学: 氢键受体数2.0氢键供体数2可旋转键数0

相似化合物

3977-23-9 55474-90-3 1332529-53-9

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别急性毒性类别4(经口)
警示词Warning(警告)
危险描述H302 |吞咽有害.
防范说明P264-P270-P330-P501
UN编号NONH for all modes of transport
危险品标志Xn
危险类别码22
WGK Germany3

欧盟法规

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上下游产品

合成工艺路线路线简述

合成目标产物 2-Pyrimidinamine, 4,5,6-Trimethyl- (9CI) 主要起始原料 Cyanamide And 3-Penten-2-One, 4-Amino-3-Methyl-, (3Z)- (9CI)
(文献来源)合成步骤主要原料 Cyanamide 和 3-Penten-2-One, 4-Amino-3-Methyl-, (3Z)- (9Ci)

📜胍,3-甲基-2,4-戊烷二酮以乙醇作为反应溶剂,化学反应 8.0H,以70.5%的收率获得产物4,5,6-三甲基嘧啶-2-胺
参考文献:Design,Microwave-Assisted Synthesis And Hiv-Rt Inhibitory Activity Of 2-(2,6-Dihalophenyl)-3-(4,6-Dimethyl-5-(Un)Substituted-Pyrimidin-2-yl)Thiazolidin-4-Ones
标题:Design,Microwave-Assisted Synthesis And Hiv-Rt Inhibitory Activity Of 2-(2,6-Dihalophenyl)-3-(4,6-Dimethyl-5-(Un)Substituted-Pyrimidin-2-yl)Thiazolidin-4-Ones
摘要:A Series Of Novel Thiazolidin-4-Ones Bearing A Hydrophobic Substituent At 5-Position On The 4,6-Dimethyl-Pyrimidine Ring At N-3 (5C-I And 6C-I) Were Designed On The Prediction Of Qsar Studies,Synthesized In Good Yields Of 60.1-85.3% By Microwave-Assisted One-Pot Protocol With The Combination Of Using Dicyclohexylcarbonimide (Dcc) As The Promotor,And Evaluated As Hiv-1 Reverse Transcriptases Inhibitors. The Results Of In Vitro Hiv-1 Rt Kit Assay Showed That Some Of The New Compounds,Such As 5C,6C,5D,6D,5G,5H And 6I,Could Effectively Inhibit Rt Activity. Among Them,Compounds 5C And 6C Where Ethyl Group Existed At 5-Position On N-3 Pyrimidine Ring Were The Best Ones With The Ic50 Value Of 0.26 Mu M And 0.23 Mu M,Respectively. Structure-Activity Relationship Analysis Of These Analogues Suggested That The Overall Hydrophobicity And Steric Factor Were Important To The Anti-Hiv Rt Activity. The Mechanism Of The Intramolecular Cycloamidation Promoted By Dcc Was Also Investigated With The Key Uncyclized Intermediate 13. (C) 2009 Elsevier Ltd. All Rights Reserved.
DOI:10.1016/j.Bmc.2009.04.024