4-chloro-6-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine

C12H8ClF3N2OS — CID 106768641

IUPAC4-chloro-6-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine
SMILESCOc1ccc(Sc2cc(Cl)nc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H8ClF3N2OS/c1-19-7-2-4-8(5-3-7)20-10-6-9(13)17-11(18-10)12(14,15)16/h2-6H,1H3
InChIKeyIHRJLMLNYRSBOF-UHFFFAOYSA-N
MW320.72 g/mol
LogP4.31
Rot. Bonds3

About 4-chloro-6-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine

4-chloro-6-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine (PubChem CID 106768641) has the molecular formula C12H8ClF3N2OS and a molecular weight of 320.72 g/mol. Its IUPAC name is 4-chloro-6-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine
PubChem CID106768641
Molecular FormulaC12H8ClF3N2OS
Molecular Weight320.72 g/mol
Exact Mass320.00
IUPAC Name4-chloro-6-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine
SMILESCOc1ccc(Sc2cc(Cl)nc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H8ClF3N2OS/c1-19-7-2-4-8(5-3-7)20-10-6-9(13)17-11(18-10)12(14,15)16/h2-6H,1H3
InChIKeyIHRJLMLNYRSBOF-UHFFFAOYSA-N
XLogP4.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.72
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-4,6-bis[(2-methoxyphenyl)sulfanyl]pyrimidine
CID 11101225
4-Chloro-6-methylsulfanyl-2-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 19690813
4-Chloro-6-(4-fluorophenoxy)-2-methylsulfanylpyrimidine
CID 112724426
4-Chloro-2-(3-fluorophenoxy)-6-methylsulfanylpyrimidine
CID 118960406
2-Chloro-4-(3-fluorophenoxy)-6-methylsulfanylpyrimidine
CID 118960563
4-(3-Fluorophenoxy)-2-methyl-6-methylsulfanylpyrimidine
CID 118974238
4-(3-Fluorophenoxy)-6-methylsulfanyl-2-propan-2-ylpyrimidine
CID 130395937
2-Chloro-5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidine
CID 79076417
4-Chloro-6-(3-fluorophenoxy)-2-methylsulfanylpyrimidine
CID 80544563
4-Chloro-6-(2,4-difluorophenoxy)-2-methylsulfanylpyrimidine
CID 80544625
4-Chloro-6-(2,3-difluorophenoxy)-2-methylsulfanylpyrimidine
CID 80544687
4-Chloro-6-(2,5-difluorophenoxy)-2-methylsulfanylpyrimidine
CID 80544725

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine (CID 106768641) is 4-chloro-6-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine is COc1ccc(Sc2cc(Cl)nc(C(F)(F)F)n2)cc1.
What is the InChIKey of 4-chloro-6-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine?
The InChIKey is IHRJLMLNYRSBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2OS/c1-19-7-2-4-8(5-3-7)20-10-6-9(13)17-11(18-10)12(14,15)16/h2-6H,1H3.
What are the key properties of 4-chloro-6-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine has a molecular weight of 320.72 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106768641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).