for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
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=CN=C(NC1=O)N2CCCCC2 |
|---|---|
| IUPAC Name | ethyl 6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carboxylate |
| InChIKey | ZFXRWQJOGNFOMI-UHFFFAOYSA-N |
| INCHI | 1S/C12H17N3O3/c1-2-18-11(17)9-8-13-12(14-10(9)16)15-6-4-3-5-7-15/h8H,2-7H2,1H3,(H,13,14,16) |
| Isomeric SMILES | CCOC(=O)C1=CN=C(NC1=O)N2CCCCC2 |
| Molecular Weight | 251.288 |
| Reaxy-Rn | 231243 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=231243&ln= |
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 | Pyrimidinecarboxylic acids and derivatives |
| Direct Parent | Pyrimidinecarboxylic acids |
| Alternative Parents | Hydropyrimidine carboxylic acids and derivatives Dialkylarylamines Pyrimidones Aminopyrimidines and derivatives Piperidines Vinylogous amides Heteroaromatic compounds Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Hydropyrimidine carboxylic acid derivative - Pyrimidine-5-carboxylic acid - Dialkylarylamine - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Piperidine - Vinylogous amide - Heteroaromatic compound - Lactam - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring. |
| External Descriptors | Not available |
| Molecular Weight | 251.280 g/mol |
|---|---|
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 251.127 Da |
| Monoisotopic Mass | 251.127 Da |
| Topological Polar Surface Area | 71.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 409.000 |
| 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 |
