1-(2-ethylphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione

C17H17N3O2S — CID 3144303

IUPAC1-(2-ethylphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
SMILESCCc1ccccc1N1C(=O)CC(Sc2nccc(C)n2)C1=O
InChIInChI=1S/C17H17N3O2S/c1-3-12-6-4-5-7-13(12)20-15(21)10-14(16(20)22)23-17-18-9-8-11(2)19-17/h4-9,14H,3,10H2,1-2H3
InChIKeyZNUNNGXPMSUIJH-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.77
Rot. Bonds4

About 1-(2-ethylphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione

1-(2-ethylphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione (PubChem CID 3144303) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
PubChem CID3144303
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name1-(2-ethylphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
SMILESCCc1ccccc1N1C(=O)CC(Sc2nccc(C)n2)C1=O
InChIInChI=1S/C17H17N3O2S/c1-3-12-6-4-5-7-13(12)20-15(21)10-14(16(20)22)23-17-18-9-8-11(2)19-17/h4-9,14H,3,10H2,1-2H3
InChIKeyZNUNNGXPMSUIJH-UHFFFAOYSA-N
XLogP2.77
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2889774
N-(4-{3-[(4-methylpyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}phenyl)acetamide
CID 2901805
1-(4-Bromo-phenyl)-3-(4-methyl-pyrimidin-2-ylsulfanyl)-pyrrolidine-2,5-dione
CID 2919356
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 1154148
1-(4-Methylphenyl)-3-[(4-methylpyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2891234
3-(4-Methyl-pyrimidin-2-ylsulfanyl)-1-m-tolyl-pyrrolidine-2,5-dione
CID 2920441
3-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 2926831
1-(4-Isopropyl-phenyl)-3-(pyrimidin-2-ylsulfanyl)-pyrrolidine-2,5-dione
CID 2931560
1-(3,4-Dimethylphenyl)-3-(2-pyrimidinylthio)pyrrolidine-2,5-dione
CID 2932026
1-(3,4-Dimethylphenyl)-3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 3550987
3-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-[4-(propan-2-yl)phenyl]pyrrolidine-2,5-dione
CID 3838402
1-(2,3-Dihydroindol-1-yl)-2-pyrimidin-2-ylsulfanylpropan-1-one
CID 4819309

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-ethylphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione (CID 3144303) is 1-(2-ethylphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-ethylphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-ethylphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione is CCc1ccccc1N1C(=O)CC(Sc2nccc(C)n2)C1=O.
What is the InChIKey of 1-(2-ethylphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione?
The InChIKey is ZNUNNGXPMSUIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-3-12-6-4-5-7-13(12)20-15(21)10-14(16(20)22)23-17-18-9-8-11(2)19-17/h4-9,14H,3,10H2,1-2H3.
What are the key properties of 1-(2-ethylphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione?
1-(2-ethylphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione has a molecular weight of 327.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 3144303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).