Cas no 34750-55-5 (ethyl 4-[(2-hydroxyethyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate)

ethyl 4-[(2-hydroxyethyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate structure
34750-55-5 structure
Product Name:ethyl 4-[(2-hydroxyethyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate
CAS No:34750-55-5
MF:C10H15N3O3S
MW:257.30940079689
CID:919498
PubChem ID:295743
Update Time:2025-04-19

ethyl 4-[(2-hydroxyethyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • ethyl 4-[(2-hydroxyethyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate
    • ethyl 4-(2-hydroxyethylamino)-2-methylsulfanylpyrimidine-5-carboxylate
    • 5-pyrimidinecarboxylic acid, 4-[(2-hydroxyethyl)amino]-2-(methylthio)-, ethyl ester
    • Ethyl 4-((2-hydroxyethyl)amino)-2-(methylthio)pyrimidine-5-carboxylate
    • NSC-165349
    • NSC165349
    • Oprea1_097128
    • STL170103
    • AKOS002673253
    • 4-(2-Hydroxyethylamino)-2-methylthio-pyrimidine-5-carboxylic acid, ethyl ester
    • JLKRBPJUVGFLCV-UHFFFAOYSA-N
    • DTXSID10304304
    • Ethyl 4-[(2-hydroxyethyl)amino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate
    • Ethyl 4-[(2-hydroxyethyl)amino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate #
    • Oprea1_669559
    • AG-690/08353012
    • 34750-55-5
    • Inchi： 1S/C10H15N3O3S/c1-3-16-9(15)7-6-12-10(17-2)13-8(7)11-4-5-14/h6,14H,3-5H2,1-2H3,(H,11,12,13)
    • InChI Key： JLKRBPJUVGFLCV-UHFFFAOYSA-N
    • SMILES： S(C)C1=NC=C(C(=O)OCC)C(=N1)NCCO

Computed Properties

  • Exact Mass: 257.08355
  • Monoisotopic Mass: 257.08341252g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 7
  • Complexity: 243
  • 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: 1.5
  • Topological Polar Surface Area: 110?2

Experimental Properties

  • PSA: 84.34

ethyl 4-[(2-hydroxyethyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate Related Literature

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