5-chloro-4-fluoro-2,6-bis(methylsulfanyl)pyrimidine

C6H6ClFN2S2 — CID 123146729

IUPAC5-chloro-4-fluoro-2,6-bis(methylsulfanyl)pyrimidine
SMILESCSc1nc(F)c(Cl)c(SC)n1
InChIInChI=1S/C6H6ClFN2S2/c1-11-5-3(7)4(8)9-6(10-5)12-2/h1-2H3
InChIKeyPJDLKMJOHQMFSX-UHFFFAOYSA-N
MW224.71 g/mol
LogP2.71
Rot. Bonds2

About 5-chloro-4-fluoro-2,6-bis(methylsulfanyl)pyrimidine

5-chloro-4-fluoro-2,6-bis(methylsulfanyl)pyrimidine (PubChem CID 123146729) has the molecular formula C6H6ClFN2S2 and a molecular weight of 224.71 g/mol. Its IUPAC name is 5-chloro-4-fluoro-2,6-bis(methylsulfanyl)pyrimidine.

Molecular Properties

Compound Name5-chloro-4-fluoro-2,6-bis(methylsulfanyl)pyrimidine
PubChem CID123146729
Molecular FormulaC6H6ClFN2S2
Molecular Weight224.71 g/mol
Exact Mass223.96
IUPAC Name5-chloro-4-fluoro-2,6-bis(methylsulfanyl)pyrimidine
SMILESCSc1nc(F)c(Cl)c(SC)n1
InChIInChI=1S/C6H6ClFN2S2/c1-11-5-3(7)4(8)9-6(10-5)12-2/h1-2H3
InChIKeyPJDLKMJOHQMFSX-UHFFFAOYSA-N
XLogP2.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.71
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-2,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile
CID 507187
4,6-Dichloro-5-fluoro-2-(methylsulfanyl)pyrimidine
CID 22378277
2-Chloro-4-fluoro-6-methylsulfanylpyrimidine
CID 139215042
5-Chloro-2,4-difluoro-6-methylsulfonylpyrimidine
CID 57320888
2,4-Dichloro-5-fluoro-6-methylsulfonylpyrimidine
CID 88684757
5-Chloro-4,6-difluoro-2-methylsulfanylpyrimidine
CID 118554469
8-Chloro-7-fluoro-2,4-dithia-6,9-diazabicyclo[3.3.1]nona-1(9),5,7-triene
CID 126709826
4,6-Difluoro-2,5-bis(methylsulfanyl)pyrimidine
CID 126714725
2,4-Dichloro-5-fluoro-6-methylsulfanylpyrimidine
CID 155784193
2,4-Difluoro-5,6-bis(trifluoromethylsulfanyl)pyrimidine
CID 14064409
2,5-Difluoro-4,6-bis(trifluoromethylsulfanyl)pyrimidine
CID 14064410
4,6-Dichloro-5-fluoro-2-(propan-2-ylsulfanyl)pyrimidine
CID 165439312

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-2,6-bis(methylsulfanyl)pyrimidine?
The IUPAC name of 5-chloro-4-fluoro-2,6-bis(methylsulfanyl)pyrimidine (CID 123146729) is 5-chloro-4-fluoro-2,6-bis(methylsulfanyl)pyrimidine.
What is the SMILES notation for 5-chloro-4-fluoro-2,6-bis(methylsulfanyl)pyrimidine?
The canonical SMILES for 5-chloro-4-fluoro-2,6-bis(methylsulfanyl)pyrimidine is CSc1nc(F)c(Cl)c(SC)n1.
What is the InChIKey of 5-chloro-4-fluoro-2,6-bis(methylsulfanyl)pyrimidine?
The InChIKey is PJDLKMJOHQMFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2S2/c1-11-5-3(7)4(8)9-6(10-5)12-2/h1-2H3.
What are the key properties of 5-chloro-4-fluoro-2,6-bis(methylsulfanyl)pyrimidine?
5-chloro-4-fluoro-2,6-bis(methylsulfanyl)pyrimidine has a molecular weight of 224.71 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-2,6-bis(methylsulfanyl)pyrimidine is sourced from PubChem (CID 123146729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).