3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-ethylphenyl)pyrrolidine-2,5-dione

C18H19N3O2S — CID 2890318

IUPAC3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-ethylphenyl)pyrrolidine-2,5-dione
SMILESCCc1ccccc1N1C(=O)CC(Sc2nc(C)cc(C)n2)C1=O
InChIInChI=1S/C18H19N3O2S/c1-4-13-7-5-6-8-14(13)21-16(22)10-15(17(21)23)24-18-19-11(2)9-12(3)20-18/h5-9,15H,4,10H2,1-3H3
InChIKeyRVGVZSLHOYVVAW-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.08
Rot. Bonds4

About 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-ethylphenyl)pyrrolidine-2,5-dione

3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-ethylphenyl)pyrrolidine-2,5-dione (PubChem CID 2890318) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-ethylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-ethylphenyl)pyrrolidine-2,5-dione
PubChem CID2890318
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-ethylphenyl)pyrrolidine-2,5-dione
SMILESCCc1ccccc1N1C(=O)CC(Sc2nc(C)cc(C)n2)C1=O
InChIInChI=1S/C18H19N3O2S/c1-4-13-7-5-6-8-14(13)21-16(22)10-15(17(21)23)24-18-19-11(2)9-12(3)20-18/h5-9,15H,4,10H2,1-3H3
InChIKeyRVGVZSLHOYVVAW-UHFFFAOYSA-N
XLogP3.08
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-ethylphenyl)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-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-ethylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-ethylphenyl)pyrrolidine-2,5-dione (CID 2890318) is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-ethylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-ethylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-ethylphenyl)pyrrolidine-2,5-dione is CCc1ccccc1N1C(=O)CC(Sc2nc(C)cc(C)n2)C1=O.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-ethylphenyl)pyrrolidine-2,5-dione?
The InChIKey is RVGVZSLHOYVVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-4-13-7-5-6-8-14(13)21-16(22)10-15(17(21)23)24-18-19-11(2)9-12(3)20-18/h5-9,15H,4,10H2,1-3H3.
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-ethylphenyl)pyrrolidine-2,5-dione?
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-ethylphenyl)pyrrolidine-2,5-dione has a molecular weight of 341.44 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-ethylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2890318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).