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CS-W001157 4
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6-Amino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one

  • CAS No. 54030-56-7

  • Cat. No. CS-W020383
  • Purity≥96%
  • MDL No.MFCD00235002

*For research and further manufacturing use only, not for direct human use.

6-Amino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one|CS-W020383

Structure of 54030-56-7

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General Information

  • CAS No. 54030-56-7
  • Cat. No. CS-W020383
  • Purity ≥96%
  • MDL No. MFCD00235002
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₉N₃OS
  • Molecular Weight 171.22
  • Synonym(s) NSC 57899
  • SMILES O=C1N(C(SC)=NC(N)=C1)C

Description

6-Amino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one features a uniquely functionalized pyrimidinone core with amino, methyl, and methylthio substituents that enable direct incorporation into bioactive heterocycles. This bench-stable scaffold supports efficient derivatization in medicinal chemistry and materials synthesis.

Application

6-Amino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one serves as a versatile building block in heterocyclic synthesis, enabling efficient access to pyrimidine-based scaffolds relevant to medicinal chemistry. Its amino and methylthio groups offer orthogonal reactivity for functionalization, while the enaminone tautomer stabilizes the core structure under standard reaction conditions. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for scalable synthesis and derivatization in API development workflows.

Synthesis

  • Route1
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      74-88-4
    • ~%
    • In-stock
      6-Amino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one|CS-W020383
      54030-56-7

    References

    • American Chemical Journal, , vol. 34, p. 190 Journal of Biological Chemistry, , vol. 20, p. 158
  • Route2
    • In-stock
      6-Amino-4-hydroxy-2-mercaptopyrimidine|CS-M0337
      1004-40-6
    • null|null
      77-78-1
    • ~%
    • 6-Methoxy-2-(methylthio)pyrimidin-4-amine|CS-0361032
      3289-53-0
    • In-stock
      6-Amino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one|CS-W020383
      54030-56-7

    References

    • Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences, , vol. 52, # 12 p. 1526 - 1532

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   60.91
  • LogP   0.0844
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   1

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