CAS 85093-33-0

1-(4-chlorobenzyl)-5-fluoropyrimidine-2,4(1H,3H)-dione

Description:

1-(4-Chlorobenzyl)-5-fluoropyrimidine-2,4(1H,3H)-dione is a chemical compound characterized by its pyrimidine core, which is a six-membered aromatic ring containing two nitrogen atoms at positions 1 and 3. This compound features a chlorobenzyl group at the 1-position and a fluorine atom at the 5-position of the pyrimidine ring, contributing to its unique chemical properties. The presence of the dione functional groups indicates that it contains two carbonyl (C=O) groups, which can influence its reactivity and potential interactions with biological targets. The chlorobenzyl moiety may enhance lipophilicity, potentially affecting the compound's solubility and permeability. This compound is of interest in medicinal chemistry, particularly for its potential applications in pharmaceuticals, as modifications to the pyrimidine structure can lead to varied biological activities. Its CAS number, 85093-33-0, allows for easy identification in chemical databases and literature. Overall, this compound exemplifies the complexity and versatility of heterocyclic chemistry in drug design.

Formula: C₁₁H₈ClFN₂O₂

InChI: InChI=1/C11H8ClFN2O2/c12-8-3-1-7(2-4-8)5-15-6-9(13)10(16)14-11(15)17/h1-4,6H,5H2,(H,14,16,17)

SMILES: c1cc(ccc1Cn1cc(c(nc1=O)O)F)Cl