3-pyrimidin-2-ylsulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

C15H10F3N3O2S — CID 2950432

IUPAC3-pyrimidin-2-ylsulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESO=C1CC(Sc2ncccn2)C(=O)N1c1ccccc1C(F)(F)F
InChIInChI=1S/C15H10F3N3O2S/c16-15(17,18)9-4-1-2-5-10(9)21-12(22)8-11(13(21)23)24-14-19-6-3-7-20-14/h1-7,11H,8H2
InChIKeyAGNULNVDXZEHSS-UHFFFAOYSA-N
MW353.33 g/mol
LogP2.92
Rot. Bonds3

About 3-pyrimidin-2-ylsulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

3-pyrimidin-2-ylsulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (PubChem CID 2950432) has the molecular formula C15H10F3N3O2S and a molecular weight of 353.33 g/mol. Its IUPAC name is 3-pyrimidin-2-ylsulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-pyrimidin-2-ylsulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
PubChem CID2950432
Molecular FormulaC15H10F3N3O2S
Molecular Weight353.33 g/mol
Exact Mass353.04
IUPAC Name3-pyrimidin-2-ylsulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESO=C1CC(Sc2ncccn2)C(=O)N1c1ccccc1C(F)(F)F
InChIInChI=1S/C15H10F3N3O2S/c16-15(17,18)9-4-1-2-5-10(9)21-12(22)8-11(13(21)23)24-14-19-6-3-7-20-14/h1-7,11H,8H2
InChIKeyAGNULNVDXZEHSS-UHFFFAOYSA-N
XLogP2.92
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-pyrimidin-2-ylsulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione 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 3-pyrimidin-2-ylsulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-pyrimidin-2-ylsulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (CID 2950432) is 3-pyrimidin-2-ylsulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-pyrimidin-2-ylsulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-pyrimidin-2-ylsulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is O=C1CC(Sc2ncccn2)C(=O)N1c1ccccc1C(F)(F)F.
What is the InChIKey of 3-pyrimidin-2-ylsulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is AGNULNVDXZEHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2S/c16-15(17,18)9-4-1-2-5-10(9)21-12(22)8-11(13(21)23)24-14-19-6-3-7-20-14/h1-7,11H,8H2.
What are the key properties of 3-pyrimidin-2-ylsulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
3-pyrimidin-2-ylsulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 353.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-2-ylsulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2950432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).