5-chloro-4,6-difluoro-2-methylsulfanylpyrimidine

C5H3ClF2N2S — CID 118554469

IUPAC5-chloro-4,6-difluoro-2-methylsulfanylpyrimidine
SMILESCSc1nc(F)c(Cl)c(F)n1
InChIInChI=1S/C5H3ClF2N2S/c1-11-5-9-3(7)2(6)4(8)10-5/h1H3
InChIKeyTVEDITORYRTSRB-UHFFFAOYSA-N
MW196.61 g/mol
LogP2.13
Rot. Bonds1

About 5-chloro-4,6-difluoro-2-methylsulfanylpyrimidine

5-chloro-4,6-difluoro-2-methylsulfanylpyrimidine (PubChem CID 118554469) has the molecular formula C5H3ClF2N2S and a molecular weight of 196.61 g/mol. Its IUPAC name is 5-chloro-4,6-difluoro-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name5-chloro-4,6-difluoro-2-methylsulfanylpyrimidine
PubChem CID118554469
Molecular FormulaC5H3ClF2N2S
Molecular Weight196.61 g/mol
Exact Mass195.97
IUPAC Name5-chloro-4,6-difluoro-2-methylsulfanylpyrimidine
SMILESCSc1nc(F)c(Cl)c(F)n1
InChIInChI=1S/C5H3ClF2N2S/c1-11-5-9-3(7)2(6)4(8)10-5/h1H3
InChIKeyTVEDITORYRTSRB-UHFFFAOYSA-N
XLogP2.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.61
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimidine, 5-chloro-2,4,6-trifluoro-
CID 69679
4,6-Dichloro-5-fluoro-2-(methylsulfanyl)pyrimidine
CID 22378277
4,6-Dichloro-5-iodo-2-(methylsulfanyl)pyrimidine
CID 59405055
4,6-Dichloro-5-fluoro-2-methanesulfonylpyrimidine
CID 86616257
2,5-Dichloro-4,6-difluoropyrimidine
CID 14047565
Pyrimidine, 4-chloro-6-fluoro-2-(methylthio)-5-(trifluoromethyl)-
CID 14151821
5-Chloro-4,6-difluoro-2-methoxypyrimidine
CID 23235423
5-Chloro-4,6-difluoro-2-methylpyrimidine
CID 23320363
5-Chloro-4-fluoro-2,6-bis(methylsulfanyl)pyrimidine
CID 123146729
5-Chloro-2-[(5-chloro-4,6-difluoropyrimidin-2-yl)sulfanylmethylsulfanyl]-4,6-difluoropyrimidine
CID 126709829
4,6-Difluoro-2,5-bis(methylsulfanyl)pyrimidine
CID 126714725
5-Chloro-4,6-difluoro-2-sulfanyloxypyrimidine
CID 126714755

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,6-difluoro-2-methylsulfanylpyrimidine?
The IUPAC name of 5-chloro-4,6-difluoro-2-methylsulfanylpyrimidine (CID 118554469) is 5-chloro-4,6-difluoro-2-methylsulfanylpyrimidine.
What is the SMILES notation for 5-chloro-4,6-difluoro-2-methylsulfanylpyrimidine?
The canonical SMILES for 5-chloro-4,6-difluoro-2-methylsulfanylpyrimidine is CSc1nc(F)c(Cl)c(F)n1.
What is the InChIKey of 5-chloro-4,6-difluoro-2-methylsulfanylpyrimidine?
The InChIKey is TVEDITORYRTSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF2N2S/c1-11-5-9-3(7)2(6)4(8)10-5/h1H3.
What are the key properties of 5-chloro-4,6-difluoro-2-methylsulfanylpyrimidine?
5-chloro-4,6-difluoro-2-methylsulfanylpyrimidine has a molecular weight of 196.61 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,6-difluoro-2-methylsulfanylpyrimidine is sourced from PubChem (CID 118554469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).