4-ethoxy-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine

C9H10F4N2OS — CID 58252365

IUPAC4-ethoxy-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine
SMILESCCOc1nc(SCC)nc(C(F)(F)F)c1F
InChIInChI=1S/C9H10F4N2OS/c1-3-16-7-5(10)6(9(11,12)13)14-8(15-7)17-4-2/h3-4H2,1-2H3
InChIKeyRLYVQSYICFOWAR-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.15
Rot. Bonds4

About 4-ethoxy-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine

4-ethoxy-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine (PubChem CID 58252365) has the molecular formula C9H10F4N2OS and a molecular weight of 270.25 g/mol. Its IUPAC name is 4-ethoxy-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-ethoxy-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine
PubChem CID58252365
Molecular FormulaC9H10F4N2OS
Molecular Weight270.25 g/mol
Exact Mass270.04
IUPAC Name4-ethoxy-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine
SMILESCCOc1nc(SCC)nc(C(F)(F)F)c1F
InChIInChI=1S/C9H10F4N2OS/c1-3-16-7-5(10)6(9(11,12)13)14-8(15-7)17-4-2/h3-4H2,1-2H3
InChIKeyRLYVQSYICFOWAR-UHFFFAOYSA-N
XLogP3.15
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.15
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-5-fluoro-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-ethoxy-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine (CID 58252365) is 4-ethoxy-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-ethoxy-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-ethoxy-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine is CCOc1nc(SCC)nc(C(F)(F)F)c1F.
What is the InChIKey of 4-ethoxy-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine?
The InChIKey is RLYVQSYICFOWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4N2OS/c1-3-16-7-5(10)6(9(11,12)13)14-8(15-7)17-4-2/h3-4H2,1-2H3.
What are the key properties of 4-ethoxy-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine?
4-ethoxy-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine has a molecular weight of 270.25 g/mol, XLogP of 3.15, 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-5-fluoro-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 58252365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).