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CS-W001157 4
Total: USD 88.00

4-Amino-6-chloro-2-(methylthio)pyrimidine

  • CAS No. 1005-38-5

  • Cat. No. CS-W005606
  • Purity≥97%
  • MDL No.MFCD00006088

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

4-Amino-6-chloro-2-(methylthio)pyrimidine|CS-W005606

Structure of 1005-38-5

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General Information

  • CAS No. 1005-38-5
  • Cat. No. CS-W005606
  • Purity ≥97%
  • MDL No. MFCD00006088
  • Storage -20°C, stored under nitrogen, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₆ClN₃S
  • Molecular Weight 175.64
  • Synonym(s) 2-METHYLMERCAPTO-4-AMINO-AMINO-6-CHLOROPYRIMIDINE
  • SMILES C1=C(N=C(N=C1Cl)SC)N

Description

4-Amino-6-chloro-2-(methylthio)pyrimidine serves as a key heterocyclic scaffold in medicinal chemistry, featuring a chlorine atom at C6 and a methylthio group at C2 that enhance reactivity and metabolic stability. The amino functionality enables facile derivatization, while the electron-deficient pyrimidine ring facilitates nucleophilic substitution reactions under mild conditions. This compound is particularly valuable for constructing bioactive molecules in antiviral and anticancer research.

Application

4-Amino-6-chloro-2-(methylthio)pyrimidine serves as a versatile building block in heterocyclic synthesis, enabling efficient construction of pyrimidine-based scaffolds. Its amino and chloro groups facilitate nucleophilic substitution and coupling reactions, while the methylthio group offers orthogonal reactivity. The compound exhibits good bench stability and ease of purification, making it well-suited for medicinal chemistry campaigns 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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   51.8
  • LogP   1.4341
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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