methyl 4-methoxypyrimidine-2-carboxylate - ≥97% , CAS No.500160-56-5

CAS: 500160-56-5 Cat. No.: M633997 Molecular Weight: 168.15 PubChem CID: 45082657

GRADE & PURITY ≥97%

Synonyms

500160-56-5 | METHYL 4-METHOXYPYRIMIDINE-2-CARBOXYLATE | 2-Pyrimidinecarboxylicacid,4-methoxy-,methylester(9CI) | AKOS040794372 | FT-0710363 | F88032 | 4-methoxy-2-Pyrimidinecarboxylic acid methyl ester

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

500160-56-5 | METHYL 4-METHOXYPYRIMIDINE-2-CARBOXYLATE | 2-Pyrimidinecarboxylicacid, 4-methoxy-, methylester(9CI) | AKOS040794372 | FT-0710363 | F88032 | 4-methoxy-2-Pyrimidinecarboxylic acid methyl ester

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC1=NC(=NC=C1)C(=O)OC
• IUPAC Name: methyl 4-methoxypyrimidine-2-carboxylate
• InChIKey: FZHTXVYOQSVZEN-UHFFFAOYSA-N
• INCHI: 1S/C7H8N2O3/c1-11-5-3-4-8-6(9-5)7(10)12-2/h3-4H,1-2H3
• Isomeric SMILES: COC1=NC(=NC=C1)C(=O)OC
• PubChem CID: 45082657
• Molecular Weight: 168.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Pyrimidinecarboxylic acids and derivatives
          • Level6 Pyrimidinecarboxylic acids

• 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: Alkyl aryl ethers Methyl esters Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine-2-carboxylic acid - Alkyl aryl ether - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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

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.

DOI: 10.1186/s13321-016-0174-y