5-[(4-Chlorophenyl)amino]-6-hydroxy-2-(methylsulfanyl)pyrimidin-4(3h)-one
Basic information
- CAS
6630-69-9- Standard SMILES
CSc1nc(O)c(Nc2ccc(Cl)cc2)c(=O)[nH]1- InChIKey
KKCXFDWNXZPSKQ-UHFFFAOYSA-N- Molecular formula
- C11H10ClN3O2S
- Average molar mass
- 283.73 g/mol
- Monoisotopic mass
- 283.0182254
Names & identifiers
- Preferred name
- 5-[(4-Chlorophenyl)amino]-6-hydroxy-2-(methylsulfanyl)pyrimidin-4(3h)-one
- IUPAC
- 5-(4-chloroanilino)-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one
Names & synonyms
6630-69-95-((4-Chlorophenyl)amino)-6-hydroxy-2-(methylthio)pyrimidin-4(3H)-oneNSC599815-[(4-chlorophenyl)amino]-6-hydroxy-2-(methylsulfanyl)pyrimidin-4(3h)-oneNCIOpen2_002439DTXSID40289251NSC-599815-(4-Chloroanilino)-6-hydroxy-2-(methylsulfanyl)pyrimidin-4(3H)-one
Database identifiers
- CAS
6630-69-9- PubChem CID
- 246649
- DTXSID
DTXSID40289251
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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