5-fluoro-2-methylsulfanyl-1H-pyrimidin-6-one

C5H5FN2OS — CID 676408

IUPAC5-fluoro-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCSc1ncc(F)c(=O)[nH]1
InChIInChI=1S/C5H5FN2OS/c1-10-5-7-2-3(6)4(9)8-5/h2H,1H3,(H,7,8,9)
InChIKeyVSCLCCQOVQNZLO-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.63
Rot. Bonds1

About 5-fluoro-2-methylsulfanyl-1H-pyrimidin-6-one

5-fluoro-2-methylsulfanyl-1H-pyrimidin-6-one (PubChem CID 676408) has the molecular formula C5H5FN2OS and a molecular weight of 160.17 g/mol. Its IUPAC name is 5-fluoro-2-methylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-methylsulfanyl-1H-pyrimidin-6-one
PubChem CID676408
Molecular FormulaC5H5FN2OS
Molecular Weight160.17 g/mol
Exact Mass160.01
IUPAC Name5-fluoro-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCSc1ncc(F)c(=O)[nH]1
InChIInChI=1S/C5H5FN2OS/c1-10-5-7-2-3(6)4(9)8-5/h2H,1H3,(H,7,8,9)
InChIKeyVSCLCCQOVQNZLO-UHFFFAOYSA-N
XLogP0.63
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Methylthio)-1H-pyrimidin-4-one
CID 79823
AC1NR783
CID 5235666
4(3h)-Pyrimidinone, 2-(ethylthio)-5-fluoro-
CID 266536
5-Fluoro-3-methyl-2-methylsulfanylpyrimidin-4-one
CID 911711
5-Bromo-2-(methylsulfanyl)pyrimidin-4(3H)-one
CID 240565
5-Methyl-2-(methylthio)pyrimidin-4(3H)-one
CID 240575
5-Fluoro-1-methyl-2-methylsulfanylpyrimidin-4(1h)-one
CID 12122365
2,5-bis(methylsulfanyl)-1H-pyrimidin-6-one
CID 243822
AG-H-05354
CID 11357649
2-(Methylthio)-5-(trifluoroMethyl)pyriMidin-4(3H)-one
CID 118703441
5-fluoro-6-oxo-1H-pyrimidin-2-olate;methylsulfinylmethane
CID 139244250
5-fluoro-2-methylsulfonyl-1H-pyrimidin-6-one
CID 24271755

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-methylsulfanyl-1H-pyrimidin-6-one (CID 676408) is 5-fluoro-2-methylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-methylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-methylsulfanyl-1H-pyrimidin-6-one is CSc1ncc(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-2-methylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is VSCLCCQOVQNZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2OS/c1-10-5-7-2-3(6)4(9)8-5/h2H,1H3,(H,7,8,9).
What are the key properties of 5-fluoro-2-methylsulfanyl-1H-pyrimidin-6-one?
5-fluoro-2-methylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 160.17 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 676408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).