2-sec-Butoxy-6-phenylsulfanyl-3H-pyrimidin-4-one

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Basic information

CAS: 284681-89-6
Standard SMILES: CCC(C)Oc1nc(Sc2ccccc2)cc(=O)[nH]1
InChIKey: BBSORLBTHVPUAM-UHFFFAOYSA-N
Molecular formula: C14H16N2O2S
Average molar mass: 276.36 g/mol
Monoisotopic mass: 276.09324893

Names & identifiers

Preferred name: 2-sec-Butoxy-6-phenylsulfanyl-3H-pyrimidin-4-one
IUPAC: 2-butan-2-yloxy-4-phenylsulfanyl-1H-pyrimidin-6-one

Names & synonyms

284681-89-62-sec-Butoxy-6-phenylsulfanyl-3H-pyrimidin-4-one4(1H)-Pyrimidinone, 2-(1-methylpropoxy)-6-(phenylthio)-2-(sec-Butoxy)-6-(phenylthio)pyrimidin-4(1H)-oneDTXSID909511534-phenylsulfanyl-2-sec-butoxy-1H-pyrimidin-6-one2-[(Butan-2-yl)oxy]-6-(phenylsulfanyl)pyrimidin-4-ol

Database identifiers

CAS: 284681-89-6
PubChem CID: 478079
DTXSID: DTXSID90951153
Nikkaji: J1.320.150A

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 76 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 387

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Compound notes

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