5-fluoro-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one

C6H7FN2OS — CID 135741925

IUPAC5-fluoro-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCSc1nc(C)c(F)c(=O)[nH]1
InChIInChI=1S/C6H7FN2OS/c1-3-4(7)5(10)9-6(8-3)11-2/h1-2H3,(H,8,9,10)
InChIKeyNURNDSLYFAVFEC-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.94
Rot. Bonds1

About 5-fluoro-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one

5-fluoro-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one (PubChem CID 135741925) has the molecular formula C6H7FN2OS and a molecular weight of 174.20 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
PubChem CID135741925
Molecular FormulaC6H7FN2OS
Molecular Weight174.20 g/mol
Exact Mass174.03
IUPAC Name5-fluoro-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCSc1nc(C)c(F)c(=O)[nH]1
InChIInChI=1S/C6H7FN2OS/c1-3-4(7)5(10)9-6(8-3)11-2/h1-2H3,(H,8,9,10)
InChIKeyNURNDSLYFAVFEC-UHFFFAOYSA-N
XLogP0.94
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-2-(methylsulfanyl)pyrimidin-4(1H)-one
CID 135400507
2-(Methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-ol
CID 135410006
AC1Lgcs5
CID 135481527
5-Chloro-2-(methylthio)-6-(trifluoromethyl)-4(3H)-pyrimidinone
CID 135604887
5,6-Dimethyl-2-(methylsulfanyl)pyrimidin-4(1h)-one
CID 135494970
6-(Difluoromethyl)-2-(methylthio)pyrimidin-4-ol
CID 135581364
5-bromo-2-methylthio-6-trifluoromethyl-3H-pyrimidin-4-one
CID 135804108
5-Iodo-2-methylthio-6-trifluoromethyl-3H-pyrimidin-4-one
CID 135804110
4-(fluoromethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 136038137
4-(fluoromethyl)-5-iodo-2-methylsulfanyl-1H-pyrimidin-6-one
CID 136038138
2-(Ethylthio)-5-fluoro-6-(trifluoromethyl)pyrimidin-4-ol
CID 136055241
5-methyl-2-methylsulfanyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136328958

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one (CID 135741925) is 5-fluoro-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one is CSc1nc(C)c(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is NURNDSLYFAVFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2OS/c1-3-4(7)5(10)9-6(8-3)11-2/h1-2H3,(H,8,9,10).
What are the key properties of 5-fluoro-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
5-fluoro-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 174.20 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135741925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).