4-ethyl-2-(trifluoromethyl)-6-(2,3,3-trifluoropropylamino)pyrimidine-5-carboxylic acid

C11H11F6N3O2 — CID 90095959

IUPAC4-ethyl-2-(trifluoromethyl)-6-(2,3,3-trifluoropropylamino)pyrimidine-5-carboxylic acid
SMILESCCc1nc(C(F)(F)F)nc(NCC(F)C(F)F)c1C(=O)O
InChIInChI=1S/C11H11F6N3O2/c1-2-5-6(9(21)22)8(18-3-4(12)7(13)14)20-10(19-5)11(15,16)17/h4,7H,2-3H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyDLYZVTMNKNKQGX-UHFFFAOYSA-N
MW331.22 g/mol
LogP2.77
Rot. Bonds6

About 4-ethyl-2-(trifluoromethyl)-6-(2,3,3-trifluoropropylamino)pyrimidine-5-carboxylic acid

4-ethyl-2-(trifluoromethyl)-6-(2,3,3-trifluoropropylamino)pyrimidine-5-carboxylic acid (PubChem CID 90095959) has the molecular formula C11H11F6N3O2 and a molecular weight of 331.22 g/mol. Its IUPAC name is 4-ethyl-2-(trifluoromethyl)-6-(2,3,3-trifluoropropylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(trifluoromethyl)-6-(2,3,3-trifluoropropylamino)pyrimidine-5-carboxylic acid
PubChem CID90095959
Molecular FormulaC11H11F6N3O2
Molecular Weight331.22 g/mol
Exact Mass331.08
IUPAC Name4-ethyl-2-(trifluoromethyl)-6-(2,3,3-trifluoropropylamino)pyrimidine-5-carboxylic acid
SMILESCCc1nc(C(F)(F)F)nc(NCC(F)C(F)F)c1C(=O)O
InChIInChI=1S/C11H11F6N3O2/c1-2-5-6(9(21)22)8(18-3-4(12)7(13)14)20-10(19-5)11(15,16)17/h4,7H,2-3H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyDLYZVTMNKNKQGX-UHFFFAOYSA-N
XLogP2.77
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-2-(trifluoromethyl)-6-(2,3,3-trifluoropropylamino)pyrimidine-5-carboxylic acid 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 4-ethyl-2-(trifluoromethyl)-6-(2,3,3-trifluoropropylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-(trifluoromethyl)-6-(2,3,3-trifluoropropylamino)pyrimidine-5-carboxylic acid (CID 90095959) is 4-ethyl-2-(trifluoromethyl)-6-(2,3,3-trifluoropropylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(trifluoromethyl)-6-(2,3,3-trifluoropropylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(trifluoromethyl)-6-(2,3,3-trifluoropropylamino)pyrimidine-5-carboxylic acid is CCc1nc(C(F)(F)F)nc(NCC(F)C(F)F)c1C(=O)O.
What is the InChIKey of 4-ethyl-2-(trifluoromethyl)-6-(2,3,3-trifluoropropylamino)pyrimidine-5-carboxylic acid?
The InChIKey is DLYZVTMNKNKQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6N3O2/c1-2-5-6(9(21)22)8(18-3-4(12)7(13)14)20-10(19-5)11(15,16)17/h4,7H,2-3H2,1H3,(H,21,22)(H,18,19,20).
What are the key properties of 4-ethyl-2-(trifluoromethyl)-6-(2,3,3-trifluoropropylamino)pyrimidine-5-carboxylic acid?
4-ethyl-2-(trifluoromethyl)-6-(2,3,3-trifluoropropylamino)pyrimidine-5-carboxylic acid has a molecular weight of 331.22 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(trifluoromethyl)-6-(2,3,3-trifluoropropylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 90095959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).