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CAS 1431970-20-5

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Pyrimidine, 4-(4-methylphenyl)-2-(1-piperazinyl)-6-(trifluoromethyl)-, hydrochloride (1:2)

Description:
Pyrimidine, 4-(4-methylphenyl)-2-(1-piperazinyl)-6-(trifluoromethyl)-, hydrochloride (1:2) is a chemical compound characterized by its pyrimidine core, which is a six-membered heterocyclic ring containing two nitrogen atoms at positions 1 and 3. The compound features a 4-(4-methylphenyl) substituent, indicating the presence of a para-methylphenyl group, which contributes to its hydrophobic characteristics. Additionally, it contains a 1-piperazinyl group, enhancing its potential for biological activity, particularly in pharmacological applications. The trifluoromethyl group at position 6 significantly influences the compound's electronic properties and lipophilicity, which can affect its interaction with biological targets. As a hydrochloride salt, it is typically more soluble in water, facilitating its use in various formulations. The compound's unique structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting central nervous system disorders or other therapeutic areas. However, specific biological activity and safety profiles would require further investigation through empirical studies.
Formula:C16H17F3N4·2ClH
InChI:InChI=1S/C16H17F3N4.2ClH/c1-11-2-4-12(5-3-11)13-10-14(16(17,18)19)22-15(21-13)23-8-6-20-7-9-23;;/h2-5,10,20H,6-9H2,1H3;2*1H
InChI key:InChIKey=NJASQBDYDRIHGG-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=CC(=NC(=N1)N2CCNCC2)C3=CC=C(C)C=C3.Cl
Synonyms:
  • Pyrimidine, 4-(4-methylphenyl)-2-(1-piperazinyl)-6-(trifluoromethyl)-, hydrochloride (1:2)
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