Cas no 858269-13-3 (Methyl 4-amino-2-chloropyrimidine-5-carboxylate)

Methyl 4-amino-2-chloropyrimidine-5-carboxylate is a versatile pyrimidine derivative widely used as a key intermediate in pharmaceutical and agrochemical synthesis. Its reactive amino and chloro substituents, along with the ester functional group, make it a valuable building block for constructing heterocyclic compounds. The compound exhibits good stability under standard storage conditions and demonstrates high purity, ensuring reliable performance in nucleophilic substitution and condensation reactions. Its structural features facilitate further derivatization, enabling the synthesis of biologically active molecules, including potential drug candidates. The product is typically supplied with rigorous quality control to meet the demands of research and industrial applications.
Methyl 4-amino-2-chloropyrimidine-5-carboxylate structure
858269-13-3 structure
Product Name:Methyl 4-amino-2-chloropyrimidine-5-carboxylate
CAS No:858269-13-3
MF:C6H6ClN3O2
MW:187.583739757538
MDL:MFCD14585039
CID:829615
PubChem ID:49758011
Update Time:2025-10-29

Methyl 4-amino-2-chloropyrimidine-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-amino-2-chloropyrimidine-5-carboxylate
    • 4-AMINO-2-CHLORO-PYRIMIDINE-5-CARBOXYLIC ACID METHYL ESTER
    • methyl4-amino-2-chloropyrimidine-5-carboxylate
    • BCP29649
    • AB70540
    • FCH1165785
    • AB0027044
    • AX8182924
    • W8827
    • ST24031082
    • AM20110232
    • 5-Pyrimidinecarboxylic acid, 4-amino-2-chloro-, Me ester (4CI)
    • CS-0042858
    • DTXSID70677829
    • AKOS015854836
    • DB-014873
    • SCHEMBL21554055
    • 858269-13-3
    • DS-13867
    • MFCD14585039
    • MDL: MFCD14585039
    • Inchi: 1S/C6H6ClN3O2/c1-12-5(11)3-2-9-6(7)10-4(3)8/h2H,1H3,(H2,8,9,10)
    • InChI Key: VAMYEORYRWNWDD-UHFFFAOYSA-N
    • SMILES: O=C(C1C(N)=NC(Cl)=NC=1)OC

Computed Properties

  • Exact Mass: 187.0148541g/mol
  • Monoisotopic Mass: 187.0148541g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 178
  • 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
  • Topological Polar Surface Area: 78.1
  • XLogP3: 1.2

Methyl 4-amino-2-chloropyrimidine-5-carboxylate Security Information

  • HazardClass:IRRITANT

Methyl 4-amino-2-chloropyrimidine-5-carboxylate Pricemore >>

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