6-sec-Butoxy-2-(3,5-dimethyl-benzenesulfonyl)-3H-pyrimidin-4-one
Basic information
- CAS
284681-78-3- Standard SMILES
CCC(C)Oc1cc(=O)[nH]c(S(=O)(=O)c2cc(C)cc(C)c2)n1- InChIKey
VPADZXBZGBCAAG-UHFFFAOYSA-N- Molecular formula
- C16H20N2O4S
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.1143783
Names & identifiers
- Preferred name
- 6-sec-Butoxy-2-(3,5-dimethyl-benzenesulfonyl)-3H-pyrimidin-4-one
- IUPAC
- 4-butan-2-yloxy-2-(3,5-dimethylphenyl)sulfonyl-1H-pyrimidin-6-one
Names & synonyms
284681-78-36-(sec-Butoxy)-2-((3,5-dimethylphenyl)sulfonyl)pyrimidin-4(3H)-one6-sec-Butoxy-2-(3,5-dimethyl-benzenesulfonyl)-3H-pyrimidin-4-one4(1H)-Pyrimidinone, 2-((3,5-dimethylphenyl)sulfonyl)-6-(1-methylpropoxy)-4(1H)-Pyrimidinone, 2-[(3,5-dimethylphenyl)sulfonyl]-6-(1-methylpropoxy)-DTXSID409511432-(3,5-dimethylphenyl)sulfonyl-4-sec-butoxy-1H-pyrimidin-6-one6-[(Butan-2-yl)oxy]-2-(3,5-dimethylbenzene-1-sulfonyl)pyrimidin-4-ol
Database identifiers
- CAS
284681-78-3- PubChem CID
- 478073
- DTXSID
DTXSID40951143- Nikkaji
- J1.320.145E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 608
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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