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

C8H9F3N2O3S — CID 14280158

IUPAC4-ethoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
SMILESCCOc1cc(C(F)(F)F)nc(S(C)(=O)=O)n1
InChIInChI=1S/C8H9F3N2O3S/c1-3-16-6-4-5(8(9,10)11)12-7(13-6)17(2,14)15/h4H,3H2,1-2H3
InChIKeyQEJPHUVHYDZMLM-UHFFFAOYSA-N
MW270.23 g/mol
LogP1.30
Rot. Bonds3

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

4-ethoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine (PubChem CID 14280158) has the molecular formula C8H9F3N2O3S and a molecular weight of 270.23 g/mol. Its IUPAC name is 4-ethoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-ethoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
PubChem CID14280158
Molecular FormulaC8H9F3N2O3S
Molecular Weight270.23 g/mol
Exact Mass270.03
IUPAC Name4-ethoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
SMILESCCOc1cc(C(F)(F)F)nc(S(C)(=O)=O)n1
InChIInChI=1S/C8H9F3N2O3S/c1-3-16-6-4-5(8(9,10)11)12-7(13-6)17(2,14)15/h4H,3H2,1-2H3
InChIKeyQEJPHUVHYDZMLM-UHFFFAOYSA-N
XLogP1.30
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-ethoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine (CID 14280158) is 4-ethoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-ethoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-ethoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine is CCOc1cc(C(F)(F)F)nc(S(C)(=O)=O)n1.
What is the InChIKey of 4-ethoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is QEJPHUVHYDZMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3S/c1-3-16-6-4-5(8(9,10)11)12-7(13-6)17(2,14)15/h4H,3H2,1-2H3.
What are the key properties of 4-ethoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine?
4-ethoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 270.23 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 14280158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).