4-ethoxy-2-ethylsulfanyl-6-(trifluoromethyl)pyrimidine

C9H11F3N2OS — CID 138756319

IUPAC4-ethoxy-2-ethylsulfanyl-6-(trifluoromethyl)pyrimidine
SMILESCCOc1cc(C(F)(F)F)nc(SCC)n1
InChIInChI=1S/C9H11F3N2OS/c1-3-15-7-5-6(9(10,11)12)13-8(14-7)16-4-2/h5H,3-4H2,1-2H3
InChIKeyHMUGYKPZSXAYBU-UHFFFAOYSA-N
MW252.26 g/mol
LogP3.01
Rot. Bonds4

About 4-ethoxy-2-ethylsulfanyl-6-(trifluoromethyl)pyrimidine

4-ethoxy-2-ethylsulfanyl-6-(trifluoromethyl)pyrimidine (PubChem CID 138756319) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is 4-ethoxy-2-ethylsulfanyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-ethoxy-2-ethylsulfanyl-6-(trifluoromethyl)pyrimidine
PubChem CID138756319
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC Name4-ethoxy-2-ethylsulfanyl-6-(trifluoromethyl)pyrimidine
SMILESCCOc1cc(C(F)(F)F)nc(SCC)n1
InChIInChI=1S/C9H11F3N2OS/c1-3-15-7-5-6(9(10,11)12)13-8(14-7)16-4-2/h5H,3-4H2,1-2H3
InChIKeyHMUGYKPZSXAYBU-UHFFFAOYSA-N
XLogP3.01
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-ethylsulfanyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-ethoxy-2-ethylsulfanyl-6-(trifluoromethyl)pyrimidine (CID 138756319) is 4-ethoxy-2-ethylsulfanyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-ethoxy-2-ethylsulfanyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-ethoxy-2-ethylsulfanyl-6-(trifluoromethyl)pyrimidine is CCOc1cc(C(F)(F)F)nc(SCC)n1.
What is the InChIKey of 4-ethoxy-2-ethylsulfanyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is HMUGYKPZSXAYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c1-3-15-7-5-6(9(10,11)12)13-8(14-7)16-4-2/h5H,3-4H2,1-2H3.
What are the key properties of 4-ethoxy-2-ethylsulfanyl-6-(trifluoromethyl)pyrimidine?
4-ethoxy-2-ethylsulfanyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 252.26 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-ethylsulfanyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 138756319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).