1-(6-ethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C12H14F3N3O2 — CID 63710713

IUPAC1-(6-ethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCCc1cc(N2CCC(C(=O)O)(C(F)(F)F)C2)ncn1
InChIInChI=1S/C12H14F3N3O2/c1-2-8-5-9(17-7-16-8)18-4-3-11(6-18,10(19)20)12(13,14)15/h5,7H,2-4,6H2,1H3,(H,19,20)
InChIKeyGJSMPVGQEWHRNS-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.88
Rot. Bonds3

About 1-(6-ethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(6-ethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63710713) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 1-(6-ethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-ethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63710713
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name1-(6-ethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCCc1cc(N2CCC(C(=O)O)(C(F)(F)F)C2)ncn1
InChIInChI=1S/C12H14F3N3O2/c1-2-8-5-9(17-7-16-8)18-4-3-11(6-18,10(19)20)12(13,14)15/h5,7H,2-4,6H2,1H3,(H,19,20)
InChIKeyGJSMPVGQEWHRNS-UHFFFAOYSA-N
XLogP1.88
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6-ethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-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

Related Compounds

(3S,4S)-1-(6-cyclopropylpyrimidin-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 136588245
(3R,4R)-1-(6-butylpyrimidin-4-yl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 164632400
(3S)-1-(6-ethyl-2-methylpyrimidin-4-yl)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 164632638
(3R,4R)-4-cyclopropyl-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 164634081
1-[6-(Trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 75466422
1-(6-Methylpyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226893
1-(4-Methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708183
1-(2,6-Dimethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708720
1-(4,6-Dimethylpyrimidin-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709448
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710533
1-(6-Propylpyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710534
1-(6-Propan-2-ylpyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710712

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6-ethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63710713) is 1-(6-ethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-ethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6-ethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is CCc1cc(N2CCC(C(=O)O)(C(F)(F)F)C2)ncn1.
What is the InChIKey of 1-(6-ethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is GJSMPVGQEWHRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c1-2-8-5-9(17-7-16-8)18-4-3-11(6-18,10(19)20)12(13,14)15/h5,7H,2-4,6H2,1H3,(H,19,20).
What are the key properties of 1-(6-ethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(6-ethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 289.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63710713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).