Cas no 105950-89-8 (4-chloro-2-(methoxymethyl)pyrimidine)

4-Chloro-2-(methoxymethyl)pyrimidine is a versatile pyrimidine derivative characterized by its reactive chloro and methoxymethyl functional groups. This compound serves as a valuable intermediate in organic synthesis, particularly in the pharmaceutical and agrochemical industries, where it facilitates the construction of more complex heterocyclic structures. The chloro group allows for nucleophilic substitution reactions, while the methoxymethyl moiety offers additional reactivity for further functionalization. Its stable yet modifiable structure makes it suitable for applications in medicinal chemistry, including the development of active pharmaceutical ingredients (APIs). The compound is typically handled under standard laboratory conditions, ensuring compatibility with a range of synthetic protocols.
4-chloro-2-(methoxymethyl)pyrimidine structure
105950-89-8 structure
Product Name:4-chloro-2-(methoxymethyl)pyrimidine
CAS No:105950-89-8
MF:C6H7ClN2O
MW:158.58558011055
CID:1165471
PubChem ID:14306130
Update Time:2025-06-07

4-chloro-2-(methoxymethyl)pyrimidine Chemical and Physical Properties

Names and Identifiers

    • 4-chloro-2-(methoxymethyl)pyrimidine
    • pyrimidine, 4-chloro-2-(methoxymethyl)-
    • LogP
    • 4-chloro-2-methyloxymethylpyrimidine
    • .4-chloro-2-(methoxymethyl)pyrimidine
    • 2-methoxymethyl-4-chloropyrimidine
    • UQVFDJMABYSNMW-UHFFFAOYSA-N
    • AKOS010815177
    • Z825742010
    • 105950-89-8
    • EN300-399129
    • SCHEMBL4765915
    • Inchi: 1S/C6H7ClN2O/c1-10-4-6-8-3-2-5(7)9-6/h2-3H,4H2,1H3
    • InChI Key: UQVFDJMABYSNMW-UHFFFAOYSA-N
    • SMILES: ClC1=CC=NC(COC)=N1

Computed Properties

  • Exact Mass: 158.02500
  • Monoisotopic Mass: 158.0246905g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 102
  • 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: 0.9
  • Topological Polar Surface Area: 35?2

Experimental Properties

  • PSA: 35.01000
  • LogP: 1.27640

4-chloro-2-(methoxymethyl)pyrimidine Pricemore >>

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