1-(4,6-dimethylpyrimidin-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione

C18H19N3O2 — CID 3157157

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(CC2CC(=O)N(c3nc(C)cc(C)n3)C2=O)cc1
InChIInChI=1S/C18H19N3O2/c1-11-4-6-14(7-5-11)9-15-10-16(22)21(17(15)23)18-19-12(2)8-13(3)20-18/h4-8,15H,9-10H2,1-3H3
InChIKeyRPVRFDSXMTXJPS-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.52
Rot. Bonds3

About 1-(4,6-dimethylpyrimidin-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione

1-(4,6-dimethylpyrimidin-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 3157157) 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-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID3157157
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(CC2CC(=O)N(c3nc(C)cc(C)n3)C2=O)cc1
InChIInChI=1S/C18H19N3O2/c1-11-4-6-14(7-5-11)9-15-10-16(22)21(17(15)23)18-19-12(2)8-13(3)20-18/h4-8,15H,9-10H2,1-3H3
InChIKeyRPVRFDSXMTXJPS-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione (CID 3157157) is 1-(4,6-dimethylpyrimidin-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione is Cc1ccc(CC2CC(=O)N(c3nc(C)cc(C)n3)C2=O)cc1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is RPVRFDSXMTXJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-11-4-6-14(7-5-11)9-15-10-16(22)21(17(15)23)18-19-12(2)8-13(3)20-18/h4-8,15H,9-10H2,1-3H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
1-(4,6-dimethylpyrimidin-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 309.37 g/mol, XLogP of 2.52, 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-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 3157157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).