Cas no 162129-79-5 (ethyl 6-ethyl-2-oxo-1H-pyrimidine-5-carboxylate)
162129-79-5 structure
Product Name:ethyl 6-ethyl-2-oxo-1H-pyrimidine-5-carboxylate
CAS No:162129-79-5
MF:C9H12N2O3
MW:196.203182220459
CID:2925887
PubChem ID:10750382
Update Time:2025-04-21
ethyl 6-ethyl-2-oxo-1H-pyrimidine-5-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL19461173
- 162129-79-5
- AKOS006312665
- DB-118704
- SCHEMBL8394409
- ethyl 6-ethyl-2-oxo-1H-pyrimidine-5-carboxylate
-
- Inchi： 1S/C9H12N2O3/c1-3-7-6(8(12)14-4-2)5-10-9(13)11-7/h5H,3-4H2,1-2H3,(H,10,11,13)
- InChI Key： IRRQVYCDBDISJH-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=NC(NC=1CC)=O)=O
Computed Properties
- Exact Mass: 196.08479225Da
- Monoisotopic Mass: 196.08479225Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 318
- 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: 0.5
- Topological Polar Surface Area: 67.8?2
ethyl 6-ethyl-2-oxo-1H-pyrimidine-5-carboxylate Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
162129-79-5 (ethyl 6-ethyl-2-oxo-1H-pyrimidine-5-carboxylate) Related Products
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