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

C6H4ClF3N2OS — CID 18711475

IUPAC4-chloro-2-methylsulfanyl-6-(trifluoromethoxy)pyrimidine
SMILESCSc1nc(Cl)cc(OC(F)(F)F)n1
InChIInChI=1S/C6H4ClF3N2OS/c1-14-5-11-3(7)2-4(12-5)13-6(8,9)10/h2H,1H3
InChIKeyJAGNTVJXSFGPOR-UHFFFAOYSA-N
MW244.63 g/mol
LogP2.75
Rot. Bonds2

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

4-chloro-2-methylsulfanyl-6-(trifluoromethoxy)pyrimidine (PubChem CID 18711475) has the molecular formula C6H4ClF3N2OS and a molecular weight of 244.63 g/mol. Its IUPAC name is 4-chloro-2-methylsulfanyl-6-(trifluoromethoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methylsulfanyl-6-(trifluoromethoxy)pyrimidine
PubChem CID18711475
Molecular FormulaC6H4ClF3N2OS
Molecular Weight244.63 g/mol
Exact Mass243.97
IUPAC Name4-chloro-2-methylsulfanyl-6-(trifluoromethoxy)pyrimidine
SMILESCSc1nc(Cl)cc(OC(F)(F)F)n1
InChIInChI=1S/C6H4ClF3N2OS/c1-14-5-11-3(7)2-4(12-5)13-6(8,9)10/h2H,1H3
InChIKeyJAGNTVJXSFGPOR-UHFFFAOYSA-N
XLogP2.75
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.63
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylsulfanyl-6-(trifluoromethoxy)pyrimidine?
The IUPAC name of 4-chloro-2-methylsulfanyl-6-(trifluoromethoxy)pyrimidine (CID 18711475) is 4-chloro-2-methylsulfanyl-6-(trifluoromethoxy)pyrimidine.
What is the SMILES notation for 4-chloro-2-methylsulfanyl-6-(trifluoromethoxy)pyrimidine?
The canonical SMILES for 4-chloro-2-methylsulfanyl-6-(trifluoromethoxy)pyrimidine is CSc1nc(Cl)cc(OC(F)(F)F)n1.
What is the InChIKey of 4-chloro-2-methylsulfanyl-6-(trifluoromethoxy)pyrimidine?
The InChIKey is JAGNTVJXSFGPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2OS/c1-14-5-11-3(7)2-4(12-5)13-6(8,9)10/h2H,1H3.
What are the key properties of 4-chloro-2-methylsulfanyl-6-(trifluoromethoxy)pyrimidine?
4-chloro-2-methylsulfanyl-6-(trifluoromethoxy)pyrimidine has a molecular weight of 244.63 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylsulfanyl-6-(trifluoromethoxy)pyrimidine is sourced from PubChem (CID 18711475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).