3-(4-methylpyrimidin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione

C18H19N3O2S — CID 3838402

IUPAC3-(4-methylpyrimidin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccnc(SC2CC(=O)N(c3ccc(C(C)C)cc3)C2=O)n1
InChIInChI=1S/C18H19N3O2S/c1-11(2)13-4-6-14(7-5-13)21-16(22)10-15(17(21)23)24-18-19-9-8-12(3)20-18/h4-9,11,15H,10H2,1-3H3
InChIKeySXOUQVUEAOZXLK-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.33
Rot. Bonds4

About 3-(4-methylpyrimidin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione

3-(4-methylpyrimidin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione (PubChem CID 3838402) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-(4-methylpyrimidin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-methylpyrimidin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione
PubChem CID3838402
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name3-(4-methylpyrimidin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccnc(SC2CC(=O)N(c3ccc(C(C)C)cc3)C2=O)n1
InChIInChI=1S/C18H19N3O2S/c1-11(2)13-4-6-14(7-5-13)21-16(22)10-15(17(21)23)24-18-19-9-8-12(3)20-18/h4-9,11,15H,10H2,1-3H3
InChIKeySXOUQVUEAOZXLK-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
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-dihydroquinolin-1(2H)-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone
CID 1154148
N-(3-fluoro-4-methylphenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2592809
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
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
1-(2,3-Dihydroindol-1-yl)-2-pyrimidin-2-ylsulfanylpropan-1-one
CID 4819309
1-(2-Methylindolin-1-yl)-2-(2-pyrimidylthio)ethanone
CID 16488278

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpyrimidin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-methylpyrimidin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione (CID 3838402) is 3-(4-methylpyrimidin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-methylpyrimidin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-methylpyrimidin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione is Cc1ccnc(SC2CC(=O)N(c3ccc(C(C)C)cc3)C2=O)n1.
What is the InChIKey of 3-(4-methylpyrimidin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione?
The InChIKey is SXOUQVUEAOZXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-11(2)13-4-6-14(7-5-13)21-16(22)10-15(17(21)23)24-18-19-9-8-12(3)20-18/h4-9,11,15H,10H2,1-3H3.
What are the key properties of 3-(4-methylpyrimidin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione?
3-(4-methylpyrimidin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione has a molecular weight of 341.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpyrimidin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3838402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).