4-chloro-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidine

C12H8ClF3N2S — CID 86612500

IUPAC4-chloro-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCSc1nc(Cl)cc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H8ClF3N2S/c1-19-11-17-9(6-10(13)18-11)7-3-2-4-8(5-7)12(14,15)16/h2-6H,1H3
InChIKeyAWWGIELEOVKVDR-UHFFFAOYSA-N
MW304.72 g/mol
LogP4.54
Rot. Bonds2

About 4-chloro-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidine

4-chloro-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 86612500) has the molecular formula C12H8ClF3N2S and a molecular weight of 304.72 g/mol. Its IUPAC name is 4-chloro-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidine
PubChem CID86612500
Molecular FormulaC12H8ClF3N2S
Molecular Weight304.72 g/mol
Exact Mass304.00
IUPAC Name4-chloro-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCSc1nc(Cl)cc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H8ClF3N2S/c1-19-11-17-9(6-10(13)18-11)7-3-2-4-8(5-7)12(14,15)16/h2-6H,1H3
InChIKeyAWWGIELEOVKVDR-UHFFFAOYSA-N
XLogP4.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.72
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 58513228
2-methylsulfanyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 68823165
2-methylsulfanyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 46739890
2-methylsulfanyl-4-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrimidine
CID 18317248
2-chloro-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 57468661
ethane;5-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 143932945
4-chloro-6-(2-fluorophenyl)-2-methylsulfanylpyrimidine
CID 134110596
2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 119015408
2-methylsulfanyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine;2-methylsulfonyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 157282875
2-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 57468773
2-ethyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80935689
4-methoxy-3-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyridazine
CID 19959667

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4-chloro-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidine (CID 86612500) is 4-chloro-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-chloro-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4-chloro-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidine is CSc1nc(Cl)cc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 4-chloro-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is AWWGIELEOVKVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2S/c1-19-11-17-9(6-10(13)18-11)7-3-2-4-8(5-7)12(14,15)16/h2-6H,1H3.
What are the key properties of 4-chloro-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidine?
4-chloro-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 304.72 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 86612500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).