4-ethoxy-6-ethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid

C10H11F3N2O3 — CID 150000717

IUPAC4-ethoxy-6-ethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCCOc1nc(C(F)(F)F)nc(CC)c1C(=O)O
InChIInChI=1S/C10H11F3N2O3/c1-3-5-6(8(16)17)7(18-4-2)15-9(14-5)10(11,12)13/h3-4H2,1-2H3,(H,16,17)
InChIKeyDBFOORNAGODURW-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.15
Rot. Bonds4

About 4-ethoxy-6-ethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid

4-ethoxy-6-ethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid (PubChem CID 150000717) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 4-ethoxy-6-ethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-ethoxy-6-ethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
PubChem CID150000717
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name4-ethoxy-6-ethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCCOc1nc(C(F)(F)F)nc(CC)c1C(=O)O
InChIInChI=1S/C10H11F3N2O3/c1-3-5-6(8(16)17)7(18-4-2)15-9(14-5)10(11,12)13/h3-4H2,1-2H3,(H,16,17)
InChIKeyDBFOORNAGODURW-UHFFFAOYSA-N
XLogP2.15
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-ethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-ethoxy-6-ethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid (CID 150000717) is 4-ethoxy-6-ethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-ethoxy-6-ethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-ethoxy-6-ethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid is CCOc1nc(C(F)(F)F)nc(CC)c1C(=O)O.
What is the InChIKey of 4-ethoxy-6-ethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The InChIKey is DBFOORNAGODURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c1-3-5-6(8(16)17)7(18-4-2)15-9(14-5)10(11,12)13/h3-4H2,1-2H3,(H,16,17).
What are the key properties of 4-ethoxy-6-ethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid?
4-ethoxy-6-ethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid has a molecular weight of 264.20 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-ethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 150000717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).