4-hydroxy-2-[4-(trifluoromethylsulfanyl)phenyl]-1H-pyrimidin-6-one

C11H7F3N2O2S — CID 63611409

IUPAC4-hydroxy-2-[4-(trifluoromethylsulfanyl)phenyl]-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(-c2ccc(SC(F)(F)F)cc2)[nH]1
InChIInChI=1S/C11H7F3N2O2S/c12-11(13,14)19-7-3-1-6(2-4-7)10-15-8(17)5-9(18)16-10/h1-5H,(H2,15,16,17,18)
InChIKeyHOWHGMVAFNYPSL-UHFFFAOYSA-N
MW288.25 g/mol
LogP2.75
Rot. Bonds2

About 4-hydroxy-2-[4-(trifluoromethylsulfanyl)phenyl]-1H-pyrimidin-6-one

4-hydroxy-2-[4-(trifluoromethylsulfanyl)phenyl]-1H-pyrimidin-6-one (PubChem CID 63611409) has the molecular formula C11H7F3N2O2S and a molecular weight of 288.25 g/mol. Its IUPAC name is 4-hydroxy-2-[4-(trifluoromethylsulfanyl)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-[4-(trifluoromethylsulfanyl)phenyl]-1H-pyrimidin-6-one
PubChem CID63611409
Molecular FormulaC11H7F3N2O2S
Molecular Weight288.25 g/mol
Exact Mass288.02
IUPAC Name4-hydroxy-2-[4-(trifluoromethylsulfanyl)phenyl]-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(-c2ccc(SC(F)(F)F)cc2)[nH]1
InChIInChI=1S/C11H7F3N2O2S/c12-11(13,14)19-7-3-1-6(2-4-7)10-15-8(17)5-9(18)16-10/h1-5H,(H2,15,16,17,18)
InChIKeyHOWHGMVAFNYPSL-UHFFFAOYSA-N
XLogP2.75
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[4-(trifluoromethylsulfanyl)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-[4-(trifluoromethylsulfanyl)phenyl]-1H-pyrimidin-6-one (CID 63611409) is 4-hydroxy-2-[4-(trifluoromethylsulfanyl)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-[4-(trifluoromethylsulfanyl)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-[4-(trifluoromethylsulfanyl)phenyl]-1H-pyrimidin-6-one is O=c1cc(O)nc(-c2ccc(SC(F)(F)F)cc2)[nH]1.
What is the InChIKey of 4-hydroxy-2-[4-(trifluoromethylsulfanyl)phenyl]-1H-pyrimidin-6-one?
The InChIKey is HOWHGMVAFNYPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2S/c12-11(13,14)19-7-3-1-6(2-4-7)10-15-8(17)5-9(18)16-10/h1-5H,(H2,15,16,17,18).
What are the key properties of 4-hydroxy-2-[4-(trifluoromethylsulfanyl)phenyl]-1H-pyrimidin-6-one?
4-hydroxy-2-[4-(trifluoromethylsulfanyl)phenyl]-1H-pyrimidin-6-one has a molecular weight of 288.25 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[4-(trifluoromethylsulfanyl)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 63611409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).