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CS-W001157 4
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4-Chloro-6-methyl-2-(methylthio)pyrimidine-5-carbonitrile

  • CAS No. 1208170-17-5

  • Cat. No. CS-0153746
  • Molecule weight199.66
  • Purity≥98%
  • MDL No.None

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

4-Chloro-6-methyl-2-(methylthio)pyrimidine-5-carbonitrile|CS-0153746

Structure of 1208170-17-5

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General Information

  • CAS No. 1208170-17-5
  • Cat. No. CS-0153746
  • Purity ≥98%
  • MDL No. None
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆ClN₃S
  • Molecular Weight 199.66
  • Synonym(s) None
  • SMILES CC1=C(C#N)C(=NC(=N1)SC)Cl

Description

4-Chloro-6-methyl-2-(methylthio)pyrimidine-5-carbonitrile features a trifunctional pyrimidine core with chlorine, methylthio, and nitrile groups positioned for orthogonal reactivity. This electron-deficient scaffold enables direct incorporation into heterocyclic scaffolds via cross-coupling or nucleophilic displacement, offering a robust platform for medicinal chemistry campaigns requiring precise structural tuning and metabolic stability.

Application

4-Chloro-6-methyl-2-(methylthio)pyrimidine-5-carbonitrile serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyrimidine-based scaffolds. Its regioselective reactivity at the C4-chloro site facilitates palladium-catalyzed cross-coupling reactions, while the nitrile and methylthio groups offer orthogonal functionalization potential. The compound exhibits excellent bench stability and clean purification profiles, making it well-suited for scalable synthesis and API intermediate development.

Safety Information

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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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   49.57
  • LogP   2.032
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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