4-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid

C12H14F3N3O3 — CID 66247046

IUPAC4-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid
SMILESCCN(c1nccc(C(F)(F)F)n1)C1COCC1C(=O)O
InChIInChI=1S/C12H14F3N3O3/c1-2-18(8-6-21-5-7(8)10(19)20)11-16-4-3-9(17-11)12(13,14)15/h3-4,7-8H,2,5-6H2,1H3,(H,19,20)
InChIKeyZPVMMQUMTZVQMK-UHFFFAOYSA-N
MW305.26 g/mol
LogP1.42
Rot. Bonds4

About 4-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid

4-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid (PubChem CID 66247046) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is 4-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid
PubChem CID66247046
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC Name4-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid
SMILESCCN(c1nccc(C(F)(F)F)n1)C1COCC1C(=O)O
InChIInChI=1S/C12H14F3N3O3/c1-2-18(8-6-21-5-7(8)10(19)20)11-16-4-3-9(17-11)12(13,14)15/h3-4,7-8H,2,5-6H2,1H3,(H,19,20)
InChIKeyZPVMMQUMTZVQMK-UHFFFAOYSA-N
XLogP1.42
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-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-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid (CID 66247046) is 4-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid is CCN(c1nccc(C(F)(F)F)n1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid?
The InChIKey is ZPVMMQUMTZVQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c1-2-18(8-6-21-5-7(8)10(19)20)11-16-4-3-9(17-11)12(13,14)15/h3-4,7-8H,2,5-6H2,1H3,(H,19,20).
What are the key properties of 4-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid?
4-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid has a molecular weight of 305.26 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66247046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).