1134647-49-6 (6-甲基嘧啶-4-胺,6-Methylpyrimidin-4-amine)

快速询单

结构式：

6-甲基嘧啶-4-胺MOL文件

CAS号：

1134647-49-6

中文名称：

6-甲基嘧啶-4-胺

英文名称：

6-Methylpyrimidin-4-amine

分子式：

C₅H₇N₃

分子量：

109.129180192947

6-甲基嘧啶-4-胺(1134647-49-6)名称与标识符

名称

中文别名：

6-甲基嘧啶-4-胺;

英文别名：

6-Methylpyrimidin-4-amine;6-Methyl-4-pyrimidinamine;6-Methyl-pyrimidin-4-yl amine;Pyrimidine, 4-amino-6-methyl-;3435-28-7;BCP30389;AC-907/25014079;DB-011498;6-Methylpyrimidin-4-ylamine;GS-6557;6-Methyl-4-pyrimidinamine #;PB12118;CS-D1591;AKOS000573413;EN300-70358;Pyrimidine, 6-amino-4-methyl-;4-Pyrimidinamine, 6-methyl-;4-Pyrimidinamine, 6-methyl- (9CI);817-018-7;Methyl, (6-amino-4-pyrimidinyl)-, radical ion(1+);MFCD00188073;1134647-49-6;1134647-53-2;SCHEMBL331825;Z787349196;AC-31811;4-AMINO-6-METHYLPYRIMIDINE;DTXSID30871028;F8881-7478;SY029024;

标识符

InChIKey：

LAERIBHKDNBVOO-UHFFFAOYSA-N

Inchi：

1S/C5H7N3/c1-4-2-5(6)8-3-7-4/h2-3H,1H3,(H2,6,7,8)

SMILES：

N1C=NC(=CC=1C)N

6-甲基嘧啶-4-胺(1134647-49-6)物化性质

计算特性

精确分子量 : 109.063997236Da
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 0
同位素质量 : 109.063997236Da
重原子数量 : 8
复杂度 : 74.1
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 0.2
拓扑分子极性表面积 : 51.8Å²

6-甲基嘧啶-4-胺(1134647-49-6)相关文献

1. Synthesis, antimalarial activity, heme binding and docking studies of 4-aminoquinoline–pyrimidine based molecular hybrids
Deepak Kumar,Shabana I. Khan,Babu L. Tekwani,Prija Ponnan,Diwan S. Rawat RSC Adv. 2014 4 63655
2. 121. Synthetic antimalarials. Part XXV. Some 4-arylguanidino-2- and -6-dialkylaminoalkylaminopyrimidines
A. F. Crowther,F. H. S. Curd,F. L. Rose J. Chem. Soc. 1948 586
3. 2-Aminopyrrolo[1,2-a]- and 3-aminopyrrolo[1,2-c]-pyrimidines
David G. Doughty,Edward E. Glover,Kenneth D. Vaughan J. Chem. Soc. Perkin Trans. 1 1976 1991
4. 224. An experimental study of some potentially tautomeric 2- and 4(6)-substituted pyrimidines
J. R. Marshall,James Walker J. Chem. Soc. 1951 1004
5. The synthesis of trypanocides. Part IV. The attempted preparation of 4-amino-6-(6-amino-1 : 2-dimethylpyrimidinium-4-amino)-1 : 2-dimethylquinolinium di-iodide
F. H. S. Curd,D. N. Richardson J. Chem. Soc. 1955 1853
6. Metal binding properties of pyrimidinophanes and their acyclic counterparts
Sergey N. Podyachev,Vyacheslav E. Semenov,Victor V. Syakaev,Nadezda E. Kashapova,Svetlana N. Sudakova,Julia K. Voronina,Anatoly S. Mikhailov,Alexandra D. Voloshina,Vladimir S. Reznik,Alexander I. Konovalov RSC Adv. 2014 4 10228
7. 460. Hydropyrimidines. Part III. Reduction of amino-pyrimidines
R. F. Evans J. Chem. Soc. 1964 2450
8. Probing riboswitch–ligand interactions using thiamine pyrophosphate analogues
Liuhong Chen,Elena Cressina,Neil Dixon,Karl Erixon,Kwasi Agyei-Owusu,Jason Micklefield,Alison G. Smith,Chris Abell,Finian J. Leeper Org. Biomol. Chem. 2012 10 5924