5-ethylsulfanyl-2,4,6-trifluoropyrimidine

C6H5F3N2S — CID 19996634

IUPAC5-ethylsulfanyl-2,4,6-trifluoropyrimidine
SMILESCCSc1c(F)nc(F)nc1F
InChIInChI=1S/C6H5F3N2S/c1-2-12-3-4(7)10-6(9)11-5(3)8/h2H2,1H3
InChIKeyHCLZDPCEIZPMBD-UHFFFAOYSA-N
MW194.18 g/mol
LogP2.01
Rot. Bonds2

About 5-ethylsulfanyl-2,4,6-trifluoropyrimidine

5-ethylsulfanyl-2,4,6-trifluoropyrimidine (PubChem CID 19996634) has the molecular formula C6H5F3N2S and a molecular weight of 194.18 g/mol. Its IUPAC name is 5-ethylsulfanyl-2,4,6-trifluoropyrimidine.

Molecular Properties

Compound Name5-ethylsulfanyl-2,4,6-trifluoropyrimidine
PubChem CID19996634
Molecular FormulaC6H5F3N2S
Molecular Weight194.18 g/mol
Exact Mass194.01
IUPAC Name5-ethylsulfanyl-2,4,6-trifluoropyrimidine
SMILESCCSc1c(F)nc(F)nc1F
InChIInChI=1S/C6H5F3N2S/c1-2-12-3-4(7)10-6(9)11-5(3)8/h2H2,1H3
InChIKeyHCLZDPCEIZPMBD-UHFFFAOYSA-N
XLogP2.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-2,4,6-trifluoropyrimidine?
The IUPAC name of 5-ethylsulfanyl-2,4,6-trifluoropyrimidine (CID 19996634) is 5-ethylsulfanyl-2,4,6-trifluoropyrimidine.
What is the SMILES notation for 5-ethylsulfanyl-2,4,6-trifluoropyrimidine?
The canonical SMILES for 5-ethylsulfanyl-2,4,6-trifluoropyrimidine is CCSc1c(F)nc(F)nc1F.
What is the InChIKey of 5-ethylsulfanyl-2,4,6-trifluoropyrimidine?
The InChIKey is HCLZDPCEIZPMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2S/c1-2-12-3-4(7)10-6(9)11-5(3)8/h2H2,1H3.
What are the key properties of 5-ethylsulfanyl-2,4,6-trifluoropyrimidine?
5-ethylsulfanyl-2,4,6-trifluoropyrimidine has a molecular weight of 194.18 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-2,4,6-trifluoropyrimidine is sourced from PubChem (CID 19996634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).