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≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCOC(=O)C1=CNC(=O)NC1 |
|---|---|
| IUPAC Name | ethyl 2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate |
| InChIKey | DYEUWQNJWMPQAL-UHFFFAOYSA-N |
| INCHI | 1S/C7H10N2O3/c1-2-12-6(10)5-3-8-7(11)9-4-5/h3H,2,4H2,1H3,(H2,8,9,11) |
| Isomeric SMILES | CCOC(=O)C1=CNC(=O)NC1 |
| Alternate CAS | 33458-27-4 |
| PubChem CID | 10844865 |
| Molecular Weight | 170.17 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Hydropyrimidines |
| Direct Parent | Hydropyrimidine carboxylic acids and derivatives |
| Alternative Parents | Pyrimidones Vinylogous amides Enoate esters Ureas Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Hydropyrimidine carboxylic acid derivative - Pyrimidone - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid ester - Urea - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydropyrimidine carboxylic acids and derivatives. These are compounds containing a hydrogenated pyrimidine ring which bears a carboxylic acid group. |
| External Descriptors | Not available |
| Molecular Weight | 170.170 g/mol |
|---|---|
| XLogP3 | -0.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 170.069 Da |
| Monoisotopic Mass | 170.069 Da |
| Topological Polar Surface Area | 67.400 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 235.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |