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

C16H15N3O3S — CID 2885975

IUPAC1-(4-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1
InChIInChI=1S/C16H15N3O3S/c1-10-7-8-17-16(18-10)23-13-9-14(20)19(15(13)21)11-3-5-12(22-2)6-4-11/h3-8,13H,9H2,1-2H3
InChIKeySJJFLSWFIMEFGF-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.22
Rot. Bonds4

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

1-(4-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione (PubChem CID 2885975) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
PubChem CID2885975
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name1-(4-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1
InChIInChI=1S/C16H15N3O3S/c1-10-7-8-17-16(18-10)23-13-9-14(20)19(15(13)21)11-3-5-12(22-2)6-4-11/h3-8,13H,9H2,1-2H3
InChIKeySJJFLSWFIMEFGF-UHFFFAOYSA-N
XLogP2.22
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(4-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-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

Related Compounds

3-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 2918713
1-(2-Ethoxyphenyl)-3-[(4-methylpyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2927186
2-Methylsulfanyl-pyrimidine-5-carboxylic acid (4-methoxy-phenyl)-amide
CID 6489028
1-(4-Ethoxyphenyl)-3-pyrimidin-2-ylsulfanylpyrrolidine-2,5-dione
CID 2905689
3-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 3148623
3-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 3952446
2-[2-(4-methoxyphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 3904456
N,N-diethyl-2-[[4-(4-methoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4198869
2-[2-(4-methoxyphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 5215882
1-(2-Methoxy-4-nitrophenyl)-3-[(4-methylpyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2921371
1-(2,4-Dimethoxyphenyl)-3-[(4-methylpyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2918451
1-(4-Ethoxyphenyl)-3-[(4-methylpyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2950608

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(4-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione (CID 2885975) is 1-(4-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione is COc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione?
The InChIKey is SJJFLSWFIMEFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10-7-8-17-16(18-10)23-13-9-14(20)19(15(13)21)11-3-5-12(22-2)6-4-11/h3-8,13H,9H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione?
1-(4-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione has a molecular weight of 329.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 2885975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).