4-chloro-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine

C6H4ClF3N2S — CID 106768685

IUPAC4-chloro-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine
SMILESCSc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C6H4ClF3N2S/c1-13-4-2-3(7)11-5(12-4)6(8,9)10/h2H,1H3
InChIKeySXLKMEUYIXNOMX-UHFFFAOYSA-N
MW228.63 g/mol
LogP2.87
Rot. Bonds1

About 4-chloro-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine

4-chloro-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine (PubChem CID 106768685) has the molecular formula C6H4ClF3N2S and a molecular weight of 228.63 g/mol. Its IUPAC name is 4-chloro-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine
PubChem CID106768685
Molecular FormulaC6H4ClF3N2S
Molecular Weight228.63 g/mol
Exact Mass227.97
IUPAC Name4-chloro-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine
SMILESCSc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C6H4ClF3N2S/c1-13-4-2-3(7)11-5(12-4)6(8,9)10/h2H,1H3
InChIKeySXLKMEUYIXNOMX-UHFFFAOYSA-N
XLogP2.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(3,4-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidine
CID 106768610
4-chloro-6-(3-methylphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine
CID 106768687
4-chloro-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidine
CID 107780733
5-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 106768733
4-chloro-6-(4-nitrophenyl)sulfanyl-2-(trifluoromethyl)pyrimidine
CID 106768660
4-chloro-2-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyrimidine
CID 106768991
4-chloro-6-ethoxy-2-(trifluoromethyl)pyrimidine
CID 106766587
4-chloro-6-(oxolan-2-ylmethylsulfanyl)-2-(trifluoromethyl)pyrimidine
CID 106768785
6-chloro-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766912
6-chloro-N-(3,5-difluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767003
2-tert-butyl-4-chloro-6-ethylsulfanylpyrimidine
CID 80951251
4-chloro-6-(2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 106767266

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine (CID 106768685) is 4-chloro-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine is CSc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine?
The InChIKey is SXLKMEUYIXNOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2S/c1-13-4-2-3(7)11-5(12-4)6(8,9)10/h2H,1H3.
What are the key properties of 4-chloro-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine?
4-chloro-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine has a molecular weight of 228.63 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106768685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).