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

C18H19N3O2 — CID 2955049

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
SMILESCc1cc(C)nc(N2C(=O)CC(C(C)c3ccccc3)C2=O)n1
InChIInChI=1S/C18H19N3O2/c1-11-9-12(2)20-18(19-11)21-16(22)10-15(17(21)23)13(3)14-7-5-4-6-8-14/h4-9,13,15H,10H2,1-3H3
InChIKeyWOMLMEZVSNBKCU-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.78
Rot. Bonds3

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

1-(4,6-dimethylpyrimidin-2-yl)-3-(1-phenylethyl)pyrrolidine-2,5-dione (PubChem CID 2955049) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-3-(1-phenylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
PubChem CID2955049
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
SMILESCc1cc(C)nc(N2C(=O)CC(C(C)c3ccccc3)C2=O)n1
InChIInChI=1S/C18H19N3O2/c1-11-9-12(2)20-18(19-11)21-16(22)10-15(17(21)23)13(3)14-7-5-4-6-8-14/h4-9,13,15H,10H2,1-3H3
InChIKeyWOMLMEZVSNBKCU-UHFFFAOYSA-N
XLogP2.78
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4,6-diphenylpyrimidin-2-yl)-3-methylbutyramide
CID 11301995
Pentanoic acid (4,6-diphenylpyrimidin-2-yl)amide
CID 11450364
N-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutyramide
CID 11290921
N-(4,6-dimethylpyridin-2-yl)-2-phenylbutanamide
CID 2852109
3-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2889774
2-(6-methylpyridin-2-yl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
CID 3406079
(4,6-Dimethylpyrimidin-2-yl)-[(1,3-dioxoisoindol-2-yl)methyl]cyanamide
CID 657790
N-(4,6-diphenylpyrimidin-2-yl)cyclopentanecarboxamide
CID 11427880
N-(4,6-diphenylpyrimidin-2-yl)cyclohexanecarboxamide
CID 11428282
3-Benzyl-1-(pyrimidin-2-yl)pyrrolidine-2,5-dione
CID 2925181
1-(4,6-Dimethylpyrimidin-2-yl)-3-(4-methylbenzyl)pyrrolidine-2,5-dione
CID 3157157
3-(4-Chlorobenzyl)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione
CID 3157158

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-(1-phenylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-(1-phenylethyl)pyrrolidine-2,5-dione (CID 2955049) is 1-(4,6-dimethylpyrimidin-2-yl)-3-(1-phenylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-3-(1-phenylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-3-(1-phenylethyl)pyrrolidine-2,5-dione is Cc1cc(C)nc(N2C(=O)CC(C(C)c3ccccc3)C2=O)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-3-(1-phenylethyl)pyrrolidine-2,5-dione?
The InChIKey is WOMLMEZVSNBKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-11-9-12(2)20-18(19-11)21-16(22)10-15(17(21)23)13(3)14-7-5-4-6-8-14/h4-9,13,15H,10H2,1-3H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-3-(1-phenylethyl)pyrrolidine-2,5-dione?
1-(4,6-dimethylpyrimidin-2-yl)-3-(1-phenylethyl)pyrrolidine-2,5-dione has a molecular weight of 309.37 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-3-(1-phenylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2955049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).