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CS-W001157 4
Total: USD 88.00

4,6-Dichloropyrimidin-5-ol

  • CAS No. 425394-89-4

  • Cat. No. CS-0155509
  • Purity≥96%
  • MDL No.MFCD17392595

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

4,6-Dichloropyrimidin-5-ol|CS-0155509

Structure of 425394-89-4

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General Information

  • CAS No. 425394-89-4
  • Cat. No. CS-0155509
  • Purity ≥96%
  • MDL No. MFCD17392595
  • Storage -20°C, stored under nitrogen, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₂Cl₂N₂O
  • Molecular Weight 164.98
  • Synonym(s) 5-Pyrimidinol,4,6-dichloro-(9CI)
  • SMILES C1=NC(=C(C(=N1)Cl)O)Cl

Description

4,6-Dichloropyrimidin-5-ol is a bench-stable, moisture-tolerant heterocyclic building block featuring two chlorine substituents at the 4- and 6-positions flanking a hydroxyl group at C5. This arrangement enables efficient coupling reactions in medicinal chemistry, particularly for constructing kinase inhibitors and nucleoside analogs. The electron-deficient pyrimidine ring facilitates nucleophilic substitution under mild conditions.

Application

4,6-Dichloropyrimidin-5-ol serves as a versatile building block in medicinal chemistry and heterocyclic synthesis. Its dual chlorine substituents enable efficient nucleophilic substitution reactions, facilitating the installation of diverse amine, thiol, or oxygen-based side chains. The pyrimidine scaffold provides structural rigidity and hydrogen-bonding capability, enhancing target affinity in bioactive molecules. Bench-stable and readily purified by recrystallization, it functions as a key intermediate in the construction of kinase inhibitors and antiviral agents.

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   46.01
  • LogP   1.489
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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