Cas no 7389-16-4 (5-Pyrimidinecarboxylic acid, 4-ethoxy-2-methyl-, ethyl ester)
7389-16-4 structure
Product Name:5-Pyrimidinecarboxylic acid, 4-ethoxy-2-methyl-, ethyl ester
CAS No:7389-16-4
MF:C10H14N2O3
MW:210.229762554169
CID:541850
PubChem ID:12318268
Update Time:2025-04-19
5-Pyrimidinecarboxylic acid, 4-ethoxy-2-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarboxylic acid, 4-ethoxy-2-methyl-, ethyl ester
- ethyl 4-ethoxy-2-methylpyrimidine-5-carboxylate
- SCHEMBL3283452
- DTXSID30488054
- Ethyl4-ethoxy-2-methylpyrimidine-5-carboxylate
- 7389-16-4
-
- Inchi： 1S/C10H14N2O3/c1-4-14-9-8(10(13)15-5-2)6-11-7(3)12-9/h6H,4-5H2,1-3H3
- InChI Key： LKLZPIURRRSAAU-UHFFFAOYSA-N
- SMILES： O(CC)C1C(C(=O)OCC)=CN=C(C)N=1
Computed Properties
- Exact Mass: 210.10052
- Monoisotopic Mass: 210.10044231g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 211
- 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: 1.5
- Topological Polar Surface Area: 61.3?2
Experimental Properties
- PSA: 61.31
5-Pyrimidinecarboxylic acid, 4-ethoxy-2-methyl-, ethyl ester Related Literature
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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
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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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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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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