6-[(4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-2-one

C11H9FN2OS — CID 30595205

IUPAC6-[(4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-2-one
SMILESO=c1nccc(SCc2ccc(F)cc2)[nH]1
InChIInChI=1S/C11H9FN2OS/c12-9-3-1-8(2-4-9)7-16-10-5-6-13-11(15)14-10/h1-6H,7H2,(H,13,14,15)
InChIKeyQUXVRIUROCHIHS-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.20
Rot. Bonds3

About 6-[(4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-2-one

6-[(4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-2-one (PubChem CID 30595205) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-2-one
PubChem CID30595205
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC Name6-[(4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-2-one
SMILESO=c1nccc(SCc2ccc(F)cc2)[nH]1
InChIInChI=1S/C11H9FN2OS/c12-9-3-1-8(2-4-9)7-16-10-5-6-13-11(15)14-10/h1-6H,7H2,(H,13,14,15)
InChIKeyQUXVRIUROCHIHS-UHFFFAOYSA-N
XLogP2.20
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 7183853
6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-2-one
CID 7183862
N-[(4-methylphenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 30595384
5-ethyl-2-[(4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 18768448
2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-phenylacetamide
CID 7183834
4-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine
CID 62467659
2-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one
CID 135509365
2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one
CID 43654591
2-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazole
CID 47096414
2-[(4-fluorophenyl)methylsulfanyl]-5-methylsulfanylpyrimidine
CID 90718949
3-[(4-chlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)pyrazin-2-one
CID 16824560
3-[(4-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)pyrazin-2-one
CID 46337638

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-2-one (CID 30595205) is 6-[(4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-2-one is O=c1nccc(SCc2ccc(F)cc2)[nH]1.
What is the InChIKey of 6-[(4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-2-one?
The InChIKey is QUXVRIUROCHIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS/c12-9-3-1-8(2-4-9)7-16-10-5-6-13-11(15)14-10/h1-6H,7H2,(H,13,14,15).
What are the key properties of 6-[(4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-2-one?
6-[(4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-2-one has a molecular weight of 236.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 30595205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).