Cas no 832090-50-3 (5-Pyrimidinecarboxylic acid, 4-ethyl-6-methyl-2-phenyl-, methyl ester)
832090-50-3 structure
Product Name:5-Pyrimidinecarboxylic acid, 4-ethyl-6-methyl-2-phenyl-, methyl ester
CAS No:832090-50-3
MF:C15H16N2O2
MW:256.299743652344
CID:676675
PubChem ID:58781573
Update Time:2025-04-19
5-Pyrimidinecarboxylic acid, 4-ethyl-6-methyl-2-phenyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarboxylic acid, 4-ethyl-6-methyl-2-phenyl-, methyl ester
- methyl 4-ethyl-6-methyl-2-phenylpyrimidine-5-carboxylate
- 832090-50-3
- SCHEMBL5521948
- DTXSID90730021
-
- Inchi： 1S/C15H16N2O2/c1-4-12-13(15(18)19-3)10(2)16-14(17-12)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3
- InChI Key： BHIGPSPOKKJLBH-UHFFFAOYSA-N
- SMILES： O(C)C(C1=C(C)N=C(C2C=CC=CC=2)N=C1CC)=O
Computed Properties
- Exact Mass: 256.121177757g/mol
- Monoisotopic Mass: 256.121177757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 303
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 52.1?2
5-Pyrimidinecarboxylic acid, 4-ethyl-6-methyl-2-phenyl-, methyl ester Related Literature
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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