2-sec-Butoxy-6-(3,5-dimethyl-phenylsulfanyl)-3H-pyrimidin-4-one
Basic information
- CAS
284681-90-9- Standard SMILES
CCC(C)Oc1nc(Sc2cc(C)cc(C)c2)cc(=O)[nH]1- InChIKey
HJFNKCVBJDDKLL-UHFFFAOYSA-N- Molecular formula
- C16H20N2O2S
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.12454906
Names & identifiers
- Preferred name
- 2-sec-Butoxy-6-(3,5-dimethyl-phenylsulfanyl)-3H-pyrimidin-4-one
- IUPAC
- 2-butan-2-yloxy-4-(3,5-dimethylphenyl)sulfanyl-1H-pyrimidin-6-one
Names & synonyms
284681-90-92-sec-Butoxy-6-(3,5-dimethyl-phenylsulfanyl)-3H-pyrimidin-4-one2-(sec-Butoxy)-6-((3,5-dimethylphenyl)thio)pyrimidin-4(1H)-one4(1H)-Pyrimidinone, 6-((3,5-dimethylphenyl)thio)-2-(1-methylpropoxy)-4(1H)-Pyrimidinone, 6-[(3,5-dimethylphenyl)thio]-2-(1-methylpropoxy)-DTXSID509511544-(3,5-dimethylphenyl)sulfanyl-2-sec-butoxy-1H-pyrimidin-6-one2-[(Butan-2-yl)oxy]-6-[(3,5-dimethylphenyl)sulfanyl]pyrimidin-4-ol
Database identifiers
- CAS
284681-90-9- PubChem CID
- 478080
- DTXSID
DTXSID50951154- Nikkaji
- J1.320.151J
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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