4-fluoro-6-methyl-2-methylsulfanylpyrimidine

C6H7FN2S — CID 167733959

IUPAC4-fluoro-6-methyl-2-methylsulfanylpyrimidine
SMILESCSc1nc(C)cc(F)n1
InChIInChI=1S/C6H7FN2S/c1-4-3-5(7)9-6(8-4)10-2/h3H,1-2H3
InChIKeyLVGORBCFMLYHFL-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.65
Rot. Bonds1

About 4-fluoro-6-methyl-2-methylsulfanylpyrimidine

4-fluoro-6-methyl-2-methylsulfanylpyrimidine (PubChem CID 167733959) has the molecular formula C6H7FN2S and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-fluoro-6-methyl-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-fluoro-6-methyl-2-methylsulfanylpyrimidine
PubChem CID167733959
Molecular FormulaC6H7FN2S
Molecular Weight158.20 g/mol
Exact Mass158.03
IUPAC Name4-fluoro-6-methyl-2-methylsulfanylpyrimidine
SMILESCSc1nc(C)cc(F)n1
InChIInChI=1S/C6H7FN2S/c1-4-3-5(7)9-6(8-4)10-2/h3H,1-2H3
InChIKeyLVGORBCFMLYHFL-UHFFFAOYSA-N
XLogP1.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-6-methyl-2-(methylthio)pyrimidine
CID 241163
2,4-Difluoro-6-methylpyrimidine
CID 336951
4,6-Dimethyl-2-(methylsulfanyl)pyrimidine
CID 12343174
4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
CID 248063
2-Fluoro-4,6-dimethylpyrimidine
CID 15738775
2-(Methylthio)-4-(trifluoromethyl)pyrimidine
CID 2780414
4-Methyl-2-(methylthio)-6-(trifluoromethyl)pyrimidine
CID 10375758
4-Pyrimidinamine, 2-((1-methylethyl)thio)-N,N,6-trimethyl-
CID 660772
4-Iodo-6-methyl-2-methylthio-pyrimidine
CID 2736660
4-Fluoro-6-methylpyrimidine
CID 20792609
2-(Methylthio)-6-(trifluoromethyl)pyrimidin-4-amine
CID 340115
4,6-Dimethylpyrimidin-2-yl thiocyanate
CID 3043121

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methyl-2-methylsulfanylpyrimidine?
The IUPAC name of 4-fluoro-6-methyl-2-methylsulfanylpyrimidine (CID 167733959) is 4-fluoro-6-methyl-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-fluoro-6-methyl-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-fluoro-6-methyl-2-methylsulfanylpyrimidine is CSc1nc(C)cc(F)n1.
What is the InChIKey of 4-fluoro-6-methyl-2-methylsulfanylpyrimidine?
The InChIKey is LVGORBCFMLYHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2S/c1-4-3-5(7)9-6(8-4)10-2/h3H,1-2H3.
What are the key properties of 4-fluoro-6-methyl-2-methylsulfanylpyrimidine?
4-fluoro-6-methyl-2-methylsulfanylpyrimidine has a molecular weight of 158.20 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methyl-2-methylsulfanylpyrimidine is sourced from PubChem (CID 167733959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).