Cas no 1240622-58-5 (Ethyl 5-hydroxypyrimidine-2-carboxylate)

Ethyl 5-hydroxypyrimidine-2-carboxylate is a versatile pyrimidine derivative commonly employed as a key intermediate in pharmaceutical and agrochemical synthesis. Its hydroxyl and ester functional groups enable further derivatization, making it valuable for constructing heterocyclic compounds. The compound exhibits good stability under standard conditions, facilitating handling and storage. Its structural features contribute to its utility in medicinal chemistry, particularly in the development of bioactive molecules targeting enzyme inhibition or receptor modulation. The ethyl ester moiety enhances solubility in organic solvents, simplifying purification and reaction workflows. This compound is particularly useful in nucleoside analog synthesis and other applications requiring precise pyrimidine scaffold modifications.
Ethyl 5-hydroxypyrimidine-2-carboxylate structure
1240622-58-5 structure
Product Name:Ethyl 5-hydroxypyrimidine-2-carboxylate
CAS No:1240622-58-5
MF:C7H8N2O3
MW:168.15002155304
CID:1080387
PubChem ID:72206969
Update Time:2025-10-19

Ethyl 5-hydroxypyrimidine-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-hydroxypyrimidine-2-carboxylate
    • 2-Pyrimidinecarboxylic acid, 5-hydroxy-, ethyl ester
    • Ethyl5-hydroxypyrimidine-2-carboxylate
    • EN300-1723436
    • AT23880
    • 1240622-58-5
    • SB56722
    • Inchi: 1S/C7H8N2O3/c1-2-12-7(11)6-8-3-5(10)4-9-6/h3-4,10H,2H2,1H3
    • InChI Key: HXPCNJRSHKYNFO-UHFFFAOYSA-N
    • SMILES: O(C(C1N=CC(=CN=1)O)=O)CC

Computed Properties

  • Exact Mass: 168.05349212g/mol
  • Monoisotopic Mass: 168.05349212g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 155
  • 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: -0.7
  • Topological Polar Surface Area: 72.3?2

Ethyl 5-hydroxypyrimidine-2-carboxylate Pricemore >>

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