2-(ethylsulfanylmethyl)-4,5,6-trifluoropyrimidine

C7H7F3N2S — CID 164652178

IUPAC2-(ethylsulfanylmethyl)-4,5,6-trifluoropyrimidine
SMILESCCSCc1nc(F)c(F)c(F)n1
InChIInChI=1S/C7H7F3N2S/c1-2-13-3-4-11-6(9)5(8)7(10)12-4/h2-3H2,1H3
InChIKeyGQDBHNCNHJTKHU-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.15
Rot. Bonds3

About 2-(ethylsulfanylmethyl)-4,5,6-trifluoropyrimidine

2-(ethylsulfanylmethyl)-4,5,6-trifluoropyrimidine (PubChem CID 164652178) has the molecular formula C7H7F3N2S and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)-4,5,6-trifluoropyrimidine.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)-4,5,6-trifluoropyrimidine
PubChem CID164652178
Molecular FormulaC7H7F3N2S
Molecular Weight208.21 g/mol
Exact Mass208.03
IUPAC Name2-(ethylsulfanylmethyl)-4,5,6-trifluoropyrimidine
SMILESCCSCc1nc(F)c(F)c(F)n1
InChIInChI=1S/C7H7F3N2S/c1-2-13-3-4-11-6(9)5(8)7(10)12-4/h2-3H2,1H3
InChIKeyGQDBHNCNHJTKHU-UHFFFAOYSA-N
XLogP2.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethyl)-4,5,6-trifluoropyrimidine?
The IUPAC name of 2-(ethylsulfanylmethyl)-4,5,6-trifluoropyrimidine (CID 164652178) is 2-(ethylsulfanylmethyl)-4,5,6-trifluoropyrimidine.
What is the SMILES notation for 2-(ethylsulfanylmethyl)-4,5,6-trifluoropyrimidine?
The canonical SMILES for 2-(ethylsulfanylmethyl)-4,5,6-trifluoropyrimidine is CCSCc1nc(F)c(F)c(F)n1.
What is the InChIKey of 2-(ethylsulfanylmethyl)-4,5,6-trifluoropyrimidine?
The InChIKey is GQDBHNCNHJTKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2S/c1-2-13-3-4-11-6(9)5(8)7(10)12-4/h2-3H2,1H3.
What are the key properties of 2-(ethylsulfanylmethyl)-4,5,6-trifluoropyrimidine?
2-(ethylsulfanylmethyl)-4,5,6-trifluoropyrimidine has a molecular weight of 208.21 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)-4,5,6-trifluoropyrimidine is sourced from PubChem (CID 164652178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).