6-sec-Butoxy-2-(toluene-3-sulfonyl)-3H-pyrimidin-4-one
Basic information
- CAS
284681-81-8- Standard SMILES
CCC(C)Oc1cc(=O)[nH]c(S(=O)(=O)c2cccc(C)c2)n1- InChIKey
QBKCURRLEMEXDQ-UHFFFAOYSA-N- Molecular formula
- C15H18N2O4S
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.09872823
Names & identifiers
- Preferred name
- 6-sec-Butoxy-2-(toluene-3-sulfonyl)-3H-pyrimidin-4-one
- IUPAC
- 4-butan-2-yloxy-2-(3-methylphenyl)sulfonyl-1H-pyrimidin-6-one
Names & synonyms
284681-81-86-(sec-Butoxy)-2-(m-tolylsulfonyl)pyrimidin-4(3H)-one6-sec-Butoxy-2-(toluene-3-sulfonyl)-3H-pyrimidin-4-one4(1H)-Pyrimidinone, 2-((3-methylphenyl)sulfonyl)-6-(1-methylpropoxy)-4(1H)-Pyrimidinone, 2-[(3-methylphenyl)sulfonyl]-6-(1-methylpropoxy)-DTXSID209511462-(m-tolylsulfonyl)-4-sec-butoxy-1H-pyrimidin-6-one6-[(Butan-2-yl)oxy]-2-(3-methylbenzene-1-sulfonyl)pyrimidin-4-ol
Database identifiers
- CAS
284681-81-8- PubChem CID
- 478076
- DTXSID
DTXSID20951146- Nikkaji
- J1.320.148J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 589
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Compound notes
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