6-(5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl)pyrimidin-4-ol

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Cat Number

INT1802430552

CAS Number

1802430-55-2

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CAS Number

1802430-55-2

Synonyms

6-(5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl)pyrimidin-4(3H)-one

Molecular Formula

C12H7Cl2N5O

Molecular Weight

308.12

Smiles

C1=NC(C2=CC(Cl)=CC=C2N2C=C(Cl)N=N2)=CC(=O)N1

Boiling Point

536.2℃

Relative Density

1.65

pKa

7.74

General Description

6-(5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl)pyrimidin-4-ol is a complex heterocyclic assembly featuring a pyrimidinol core linked to a 1,2,3-triazolyl-phenyl system. The structure is strategically substituted with multiple chlorine atoms to enhance its bio-isosteric properties and target affinity.

Mechanism of Action

It acts as a target-specific molecular scaffold designed for docking into protein binding sites. The triazole ring and the pyrimidinol moiety serve as essential hydrogen-bond donors and acceptors, while the chlorinated phenyl group provides lipophilic interactions that stabilize the protein-ligand complex.

Application

This compound is primarily used in the development of potent enzyme inhibitors and novel antifungal or antibacterial pharmaceutical agents within the drug discovery pipeline.