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· · COA & SDS available for every product · Same-day shipping on in-stock items Ethyl 6-methyl-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate , CAS No.352692-70-7
Synonyms
ethyl 6-methyl-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate | ethyl 6-methyl-2-oxo-4-(3-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | SMR000140775 | CBMicro_049644 | Oprea1_260111 | MLS000533377 | HMS2183G12 | BDBM50159479 |
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
ethyl 6-methyl-2-oxo-4-(thiophen-3-yl)-1, 2, 3, 4-tetrahydropyrimidine-5-carboxylate | ethyl 6-methyl-2-oxo-4-(3-thienyl)-1, 2, 3, 4-tetrahydro-5-pyrimidinecarboxylate | SMR000140775 | CBMicro_049644 | Oprea1_260111 | MLS000533377 | HMS2183G12 | BDBM50159479 |
Product Properties Names and Identifiers Canonical Smiles CCOC(=O)C1=C(NC(=O)NC1C2=CSC=C2)C IUPAC Name ethyl 6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate InChIKey YDPAVIZFYHAEHR-UHFFFAOYSA-N INCHI 1S/C12H14N2O3S/c1-3-17-11(15)9-7(2)13-12(16)14-10(9)8-4-5-18-6-8/h4-6,10H,3H2,1-2H3,(H2,13,14,16) Isomeric SMILES CCOC(=O)C1=C(NC(=O)NC1C2=CSC=C2)C Molecular Weight 266.32 Reaxy-Rn 21062341 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21062341&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
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Advanced Data Taxonomic Classification 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 Thiophenes Heteroaromatic compounds Enoate esters Ureas Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Hydropyrimidine carboxylic acid derivative - Pyrimidone - Thiophene - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Carbonic acid derivative - Urea - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic 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 Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 266.320 g/mol XLogP3 1.100 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 4 Exact Mass 266.073 Da Monoisotopic Mass 266.073 Da Topological Polar Surface Area 95.700 Ų Heavy Atom Count 18 Formal Charge 0 Complexity 395.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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