5-ethyl-4-methoxy-6-(trifluoromethyl)pyrimidine

C8H9F3N2O — CID 162583281

IUPAC5-ethyl-4-methoxy-6-(trifluoromethyl)pyrimidine
SMILESCCc1c(OC)ncnc1C(F)(F)F
InChIInChI=1S/C8H9F3N2O/c1-3-5-6(8(9,10)11)12-4-13-7(5)14-2/h4H,3H2,1-2H3
InChIKeyFGALNZZHXFXKHW-UHFFFAOYSA-N
MW206.17 g/mol
LogP2.07
Rot. Bonds2

About 5-ethyl-4-methoxy-6-(trifluoromethyl)pyrimidine

5-ethyl-4-methoxy-6-(trifluoromethyl)pyrimidine (PubChem CID 162583281) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 5-ethyl-4-methoxy-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-ethyl-4-methoxy-6-(trifluoromethyl)pyrimidine
PubChem CID162583281
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name5-ethyl-4-methoxy-6-(trifluoromethyl)pyrimidine
SMILESCCc1c(OC)ncnc1C(F)(F)F
InChIInChI=1S/C8H9F3N2O/c1-3-5-6(8(9,10)11)12-4-13-7(5)14-2/h4H,3H2,1-2H3
InChIKeyFGALNZZHXFXKHW-UHFFFAOYSA-N
XLogP2.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-4-methoxy-6-(trifluoromethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methoxy-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-ethyl-4-methoxy-6-(trifluoromethyl)pyrimidine (CID 162583281) is 5-ethyl-4-methoxy-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-ethyl-4-methoxy-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-ethyl-4-methoxy-6-(trifluoromethyl)pyrimidine is CCc1c(OC)ncnc1C(F)(F)F.
What is the InChIKey of 5-ethyl-4-methoxy-6-(trifluoromethyl)pyrimidine?
The InChIKey is FGALNZZHXFXKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-3-5-6(8(9,10)11)12-4-13-7(5)14-2/h4H,3H2,1-2H3.
What are the key properties of 5-ethyl-4-methoxy-6-(trifluoromethyl)pyrimidine?
5-ethyl-4-methoxy-6-(trifluoromethyl)pyrimidine has a molecular weight of 206.17 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methoxy-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 162583281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).