Cas no 132292-01-4 (6-Bromopyrimidine-2,4-diamine)

6-Bromopyrimidine-2,4-diamine is a brominated pyrimidine derivative featuring both amino and bromo functional groups, making it a versatile intermediate in organic synthesis and pharmaceutical research. Its molecular structure (C4H5BrN4) combines a reactive bromine atom at the 6-position with two amino groups at the 2- and 4-positions, enabling selective cross-coupling reactions (e.g., Suzuki, Buchwald-Hartwig) and nucleophilic substitutions. This compound exhibits high purity (>97%) and stability under standard conditions, suitable for constructing heterocyclic scaffolds in drug discovery, particularly for kinase inhibitors and antiviral agents. The electron-withdrawing bromine enhances reactivity in metal-catalyzed transformations, while the diamino substitution pattern allows further functionalization via acylation or condensation reactions. It serves as a key precursor for synthesizing fused pyrimidine systems in medicinal chemistry.
6-Bromopyrimidine-2,4-diamine structure
6-Bromopyrimidine-2,4-diamine structure
Product Name:6-Bromopyrimidine-2,4-diamine
CAS No:132292-01-4
MF:C4H5BrN4
MW:189.013298749924
MDL:MFCD30081532
CID:5618074
PubChem ID:15055390
Update Time:2025-07-02

6-Bromopyrimidine-2,4-diamine Chemical and Physical Properties

Names and Identifiers

    • 6-bromopyrimidine-2,4-diamine
    • SCHEMBL7024976
    • 132292-01-4
    • EN300-2958863
    • 2,4-Pyrimidinediamine, 6-bromo-
    • 6-Bromopyrimidine-2,4-diamine
    • MDL: MFCD30081532
    • Inchi: 1S/C4H5BrN4/c5-2-1-3(6)9-4(7)8-2/h1H,(H4,6,7,8,9)
    • InChI Key: ULSYPLOIMKLSCA-UHFFFAOYSA-N
    • SMILES: BrC1=CC(N)=NC(N)=N1

Computed Properties

  • Exact Mass: 187.96976g/mol
  • Monoisotopic Mass: 187.96976g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 98.6
  • 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: 0.5
  • Topological Polar Surface Area: 77.8?2

Experimental Properties

  • Density: 1.956±0.06 g/cm3(Predicted)
  • Boiling Point: 447.2±48.0 °C(Predicted)
  • pka: 3.66±0.10(Predicted)

6-Bromopyrimidine-2,4-diamine Pricemore >>

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