Cas no 127958-09-2 (4-Tert-butyl-2-methylpyrimidine-5-carboxylic acid)
127958-09-2 structure
Product Name:4-Tert-butyl-2-methylpyrimidine-5-carboxylic acid
CAS No:127958-09-2
MF:C10H14N2O2
MW:194.230362415314
CID:2144217
Update Time:2023-08-04
4-Tert-butyl-2-methylpyrimidine-5-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 4-tert-butyl-2-methylpyrimidine-5-carboxylic acid
- YRQFXEWQMNIMCI-UHFFFAOYSA-N
- 2-Methyl-4-tert-butylpyrimidine-5-carboxylic acid
- 5-Pyrimidinecarboxylic acid, 4-(1,1-dimethylethyl)-2-methyl-
- 4-Tert-butyl-2-methylpyrimidine-5-carboxylic acid
-
- Inchi： 1S/C10H14N2O2/c1-6-11-5-7(9(13)14)8(12-6)10(2,3)4/h5H,1-4H3,(H,13,14)
- InChI Key： YRQFXEWQMNIMCI-UHFFFAOYSA-N
- SMILES： OC(C1=CN=C(C)N=C1C(C)(C)C)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 223
- Topological Polar Surface Area: 63.1
4-Tert-butyl-2-methylpyrimidine-5-carboxylic acid Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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