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CS-W001157 4
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2-(Methylthio)pyrimidine-4,6-diamine

  • CAS No. 1005-39-6

  • Cat. No. CS-0078674
  • Purity≥96%
  • MDL No.MFCD00023241

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

2-(Methylthio)pyrimidine-4,6-diamine|CS-0078674

Structure of 1005-39-6

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General Information

  • CAS No. 1005-39-6
  • Cat. No. CS-0078674
  • Purity ≥96%
  • MDL No. MFCD00023241
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₈N₄S
  • Molecular Weight 156.21
  • Synonym(s) 2-(methylsulfanyl)pyrimidine-4,6-diamine
  • SMILES NC1=CC(N)=NC(SC)=N1

Description

2-(Methylthio)pyrimidine-4,6-diamine features a pyrimidine core functionalized with methylthio and diamine groups, enabling direct incorporation into heterocyclic scaffolds. The electron-rich diaminopyrimidine moiety facilitates efficient coupling reactions, while the methylthio substituent enhances solubility and stability under standard conditions. This compound serves as a key intermediate in the synthesis of bioactive nitrogen-containing molecules.

Application

2-(Methylthio)pyrimidine-4,6-diamine serves as a versatile building block in heterocyclic synthesis, enabling the construction of pyrimidine-based scaffolds prevalent in medicinal chemistry. Its dual amine functionalities facilitate nucleophilic substitution and coupling reactions, while the methylthio group offers orthogonal reactivity for selective derivatization. The compound exhibits good bench stability and is compatible with standard purification protocols, making it well-suited for iterative synthetic campaigns and API intermediate development.

Synthesis

  • Route1

    References

    • Mohebbi, Shohreh; Falcon-Perez, Juan Manuel; Gonzalez, Esperanza; Millet, Oscar; Mato, Jose Maria; Kobarfard, Farzad Chemical and Pharmaceutical Bulletin, 2012 , vol. 60, # 1 p. 70 - 78
  • Route2
    • In-stock
      4,6-Diaminopyrimidine-2(1H)-thione|CS-0078663
      1004-39-3
    • null|null
      74-88-4
    • ~%
    • In-stock
      2-(Methylthio)pyrimidine-4,6-diamine|CS-0078674
      1005-39-6

    References

    • Journal of the American Chemical Society, , vol. 74, p. 1644,1646
  • Route3
    • null|null
      74-88-4
    • ~%
    • In-stock
      2-(Methylthio)pyrimidine-4,6-diamine|CS-0078674
      1005-39-6

    References

    • American Chemical Journal, , vol. 32, p. 353

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P302+P352-P304+P340

Quality Control

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Computational Chemistry Data

  • TPSA   77.82
  • LogP   0.3629
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   1

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