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

C16H15N3O3S — CID 2890602

IUPAC1-(2-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
SMILESCOc1ccccc1N1C(=O)CC(Sc2nccc(C)n2)C1=O
InChIInChI=1S/C16H15N3O3S/c1-10-7-8-17-16(18-10)23-13-9-14(20)19(15(13)21)11-5-3-4-6-12(11)22-2/h3-8,13H,9H2,1-2H3
InChIKeyGVGZSWFDEPIPGI-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.22
Rot. Bonds4

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

1-(2-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione (PubChem CID 2890602) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
PubChem CID2890602
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name1-(2-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
SMILESCOc1ccccc1N1C(=O)CC(Sc2nccc(C)n2)C1=O
InChIInChI=1S/C16H15N3O3S/c1-10-7-8-17-16(18-10)23-13-9-14(20)19(15(13)21)11-5-3-4-6-12(11)22-2/h3-8,13H,9H2,1-2H3
InChIKeyGVGZSWFDEPIPGI-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'}

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Related Compounds

3-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 1867183
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
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
N-(2-methoxy-5-nitrophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 2391270
1-(4-Methoxyphenyl)-3-[(4-methyl-2-pyrimidinyl)sulfanyl]-2,5-pyrrolidinedione
CID 2885975
5-[2-[2-(Difluoromethoxy)anilino]pyrimidin-4-yl]-3,4-dimethyl-1,3-thiazol-2-one
CID 86290976
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 975884
N-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 2226358
1-(2-Methoxy-4-nitrophenyl)-3-[(4-methylpyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2921371

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione (CID 2890602) is 1-(2-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione is COc1ccccc1N1C(=O)CC(Sc2nccc(C)n2)C1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione?
The InChIKey is GVGZSWFDEPIPGI-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)11-5-3-4-6-12(11)22-2/h3-8,13H,9H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione?
1-(2-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-(2-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 2890602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).