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

C18H19N3O3S — CID 2918713

IUPAC3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(Sc3nc(C)cc(C)n3)C2=O)cc1
InChIInChI=1S/C18H19N3O3S/c1-4-24-14-7-5-13(6-8-14)21-16(22)10-15(17(21)23)25-18-19-11(2)9-12(3)20-18/h5-9,15H,4,10H2,1-3H3
InChIKeyDMJQWIMLNPOFCL-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.92
Rot. Bonds5

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

3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 2918713) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
PubChem CID2918713
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(Sc3nc(C)cc(C)n3)C2=O)cc1
InChIInChI=1S/C18H19N3O3S/c1-4-24-14-7-5-13(6-8-14)21-16(22)10-15(17(21)23)25-18-19-11(2)9-12(3)20-18/h5-9,15H,4,10H2,1-3H3
InChIKeyDMJQWIMLNPOFCL-UHFFFAOYSA-N
XLogP2.92
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.92
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
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
2-((4,6-Dimethylpyrimidin-2-yl)thio)-N-(4-ethoxyphenyl)acetamide
CID 769987
1-(4-Butoxyphenyl)-3-[2-(butylsulfanyl)-6-methylpyrimidin-4-yl]thiourea
CID 1870872
N-(4-methoxyphenyl)-2-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio}acetamide
CID 2236145
1-(4-Methoxyphenyl)-3-[(4-methyl-2-pyrimidinyl)sulfanyl]-2,5-pyrrolidinedione
CID 2885975
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 975884
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 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione (CID 2918713) is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione is CCOc1ccc(N2C(=O)CC(Sc3nc(C)cc(C)n3)C2=O)cc1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is DMJQWIMLNPOFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-4-24-14-7-5-13(6-8-14)21-16(22)10-15(17(21)23)25-18-19-11(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-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 357.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2918713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).