55133-63-6 (甲基嘧啶,Pyrimidine, methyl-)

快速询单

结构式：

甲基嘧啶MOL文件

CAS号：

55133-63-6

中文名称：

甲基嘧啶

英文名称：

Pyrimidine, methyl-

分子式：

C₅H₆N₂

分子量：

94.1145405769348

甲基嘧啶(55133-63-6)名称与标识符

名称

中文别名：

甲基嘧啶;

英文别名：

Methylpyrimidine;Pyrimidine, methyl-;55133-63-6;Pyrimidine, 2-methyl-;AM1034;FT-0653724;CS-W016665;5053-43-0;DTXSID00871111;MFCD00128182;AKOS015892505;2-Methylpyrimidine;2-Methylpyrimidine, 97%;SB55536;SY008219;A828158;2-Methyl-1,3-diazine;PS-18071;

标识符

InChIKey：

LNJMHEJAYSYZKK-UHFFFAOYSA-N

Inchi：

1S/C5H6N2/c1-5-6-3-2-4-7-5/h2-4H,1H3

SMILES：

N1C=CC=NC=1C

甲基嘧啶(55133-63-6)物化性质

实验特性

LogP : 0.78500
PSA : 25.78
折射率 : n20/D 1.4930
沸点 : 122.1 °C at 760 mmHg
闪点 : 20.3 °C
密度 : 1.0132 g/mL at 25 °C

计算特性

精确分子量 : 94.05318
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 94.053
重原子数量 : 7
复杂度 : 48
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） : _0.1
拓扑分子极性表面积 : 25.8A^2

甲基嘧啶(55133-63-6)生产方法和用途

用途：

医药生物化工中间体。

甲基嘧啶(55133-63-6)相关文献

1. 976. Pyrimidines. Part II. The synthesis and some reactions of pyrimidine-5-aldehydes
R. Hull J. Chem. Soc. 1957 4845
2. Identification, synthesis and characterization of avanafil process impurities and determination by UPLC
Mengmeng Zhao,Xiaoxia Wu,Zengda Yu,Yunkai Sun,Zhao Liu,Jinqiao Yuan,Hu Liu,Yiping Jin RSC Adv. 2022 12 9256
3. Pyrimidines. Part III. The reduction of pyrimidines with complex metal hydrides to give 1,6-dihydropyrimidines
R. S. Shadbolt,T. L. V. Ulbricht J. Chem. Soc. C 1968 733
4. 147. Synthetic antimalarials. Part VIII. Some 4-arylamino-6-aminoalkylamino-2-methylpyrimidines
F. R. Basford,F. H. S. Curd,F. L. Rose J. Chem. Soc. 1946 713
5. 85. Experiments on the synthesis of purine nucleosides. Part VI. The synthesis of 9-d-xylosido-2-methyladenine and of 6-d-xylosidamino-2-methylpurine
J. Baddiley,B. Lythgoe,A. R. Todd J. Chem. Soc. 1944 318
6. 272. Monosubstituted pyrimidines, and the action of thiourea on chloropyrimidines
M. P. V. Boarland,J. F. W. McOmie J. Chem. Soc. 1951 1218
7. Investigation of electronic effects in diazine rings. Linear free energy relationships in the reactivity of diazine mono- and di-carboxylates
Milica Mi?i?-Vukovi?,Mirjana Radojkovi?-Veli?kovi?,Vojislav Jezdi? J. Chem. Soc. Perkin Trans. 2 1990 109
8. 1016. Reactions of pyrimidin-5-yl-lithium compounds
M. P. L. Caton,M. S. Grant,D. L. Pain,R. Slack J. Chem. Soc. 1965 5467
9. Formula index
J. Chem. Soc. 1946 1203
10. Graphene oxide-based electrochemical activation of ethionamide towards enhanced biological activity
Balaji B. Mulik,Sambhaji T. Dhumal,Vijay S. Sapner,Naziya N. M. A. Rehman,Prashant P. Dixit,Bhaskar R. Sathe RSC Adv. 2019 9 35463