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CAS 166751-35-5

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6-amino-2-[(4-methylbenzyl)sulfanyl]pyrimidin-4(1H)-one

Description:
6-Amino-2-[(4-methylbenzyl)sulfanyl]pyrimidin-4(1H)-one is a chemical compound characterized by its pyrimidine core, which features an amino group and a thioether substituent. The presence of the amino group at the 6-position contributes to its potential as a building block in medicinal chemistry, while the 4-methylbenzylthio group enhances its lipophilicity and may influence its biological activity. This compound is likely to exhibit polar characteristics due to the amino and carbonyl functionalities, which can participate in hydrogen bonding. The thioether linkage introduces unique reactivity and stability profiles compared to other sulfur-containing compounds. Its molecular structure suggests potential applications in pharmaceuticals, particularly in the development of compounds targeting specific biological pathways. Additionally, the compound's CAS number, 166751-35-5, allows for easy identification and retrieval of information in chemical databases. Overall, this compound's unique structural features may contribute to its utility in various chemical and biological applications.
Formula:C12H13N3OS
InChI:InChI=1/C12H13N3OS/c1-8-2-4-9(5-3-8)7-17-12-14-10(13)6-11(16)15-12/h2-6H,7H2,1H3,(H3,13,14,15,16)
SMILES:Cc1ccc(cc1)CSc1nc(cc(n1)O)N
Synonyms:
  • 4(3H)-pyrimidinone, 6-amino-2-[[(4-methylphenyl)methyl]thio]-
  • 6-Amino-2-[(4-methylbenzyl)sulfanyl]pyrimidin-4(3H)-one
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