4(1H)-Pyrimidinone, 2-((4-methoxyphenyl)thio)-6-(1-methylpropoxy)-
Basic information
- CAS
284681-76-1- Standard SMILES
CCC(C)Oc1cc(=O)[nH]c(Sc2ccc(OC)cc2)n1- InChIKey
QOKPKLLNWDSGKL-UHFFFAOYSA-N- Molecular formula
- C15H18N2O3S
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.10381361
Names & identifiers
- Preferred name
- 4(1H)-Pyrimidinone, 2-((4-methoxyphenyl)thio)-6-(1-methylpropoxy)-
- IUPAC
- 4-butan-2-yloxy-2-(4-methoxyphenyl)sulfanyl-1H-pyrimidin-6-one
Names & synonyms
284681-76-14(1H)-Pyrimidinone, 2-((4-methoxyphenyl)thio)-6-(1-methylpropoxy)-6-sec-Butoxy-2-(4-methoxy-phenylthio)-3H-pyrimidin-4-one6-(sec-Butoxy)-2-((4-methoxyphenyl)thio)pyrimidin-4(3H)-one4(1H)-Pyrimidinone, 2-[(4-methoxyphenyl)thio]-6-(1-methylpropoxy)-DTXSID209511412-(4-methoxyphenyl)sulfanyl-4-sec-butoxy-1H-pyrimidin-6-one6-sec-Butoxy-2-(4-methoxy-phenylsulfanyl)-3H-pyrimidin-4-one6-[(Butan-2-yl)oxy]-2-[(4-methoxyphenyl)sulfanyl]pyrimidin-4-ol
Database identifiers
- CAS
284681-76-1- PubChem CID
- 478071
- DTXSID
DTXSID20951141- Nikkaji
- J1.320.143I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 429
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