4(1H)-Pyrimidinone, 2-((4-chlorophenyl)thio)-6-(1-methylpropoxy)-
Basic information
- CAS
284681-70-5- Standard SMILES
CCC(C)Oc1cc(=O)[nH]c(Sc2ccc(Cl)cc2)n1- InChIKey
JTFODQIOWZNFCS-UHFFFAOYSA-N- Molecular formula
- C14H15ClN2O2S
- Average molar mass
- 310.8 g/mol
- Monoisotopic mass
- 310.0542766
Names & identifiers
- Preferred name
- 4(1H)-Pyrimidinone, 2-((4-chlorophenyl)thio)-6-(1-methylpropoxy)-
- IUPAC
- 4-butan-2-yloxy-2-(4-chlorophenyl)sulfanyl-1H-pyrimidin-6-one
Names & synonyms
284681-70-56-(sec-Butoxy)-2-((4-chlorophenyl)thio)pyrimidin-4(3H)-one4(1H)-Pyrimidinone, 2-((4-chlorophenyl)thio)-6-(1-methylpropoxy)-4(1H)-Pyrimidinone, 2-[(4-chlorophenyl)thio]-6-(1-methylpropoxy)-6-sec-Butoxy-2-(4-chlorophenylthio)-3H-pyrimidin-4-oneDTXSID109511352-(4-chlorophenyl)sulfanyl-4-sec-butoxy-1H-pyrimidin-6-one6-sec-Butoxy-2-(4-chloro-phenylsulfanyl)-3H-pyrimidin-4-one6-[(Butan-2-yl)oxy]-2-[(4-chlorophenyl)sulfanyl]pyrimidin-4-ol
Database identifiers
- CAS
284681-70-5- PubChem CID
- 478065
- DTXSID
DTXSID10951135- Nikkaji
- J1.320.137D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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