3-methyl-4-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione

C17H17N3O2 — CID 2937221

IUPAC3-methyl-4-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione
SMILESCc1ccc(CC2C(=O)N(c3ncccn3)C(=O)C2C)cc1
InChIInChI=1S/C17H17N3O2/c1-11-4-6-13(7-5-11)10-14-12(2)15(21)20(16(14)22)17-18-8-3-9-19-17/h3-9,12,14H,10H2,1-2H3
InChIKeyGPZDRHLVYYWXSR-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.15
Rot. Bonds3

About 3-methyl-4-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione

3-methyl-4-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione (PubChem CID 2937221) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-methyl-4-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-4-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione
PubChem CID2937221
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-methyl-4-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione
SMILESCc1ccc(CC2C(=O)N(c3ncccn3)C(=O)C2C)cc1
InChIInChI=1S/C17H17N3O2/c1-11-4-6-13(7-5-11)10-14-12(2)15(21)20(16(14)22)17-18-8-3-9-19-17/h3-9,12,14H,10H2,1-2H3
InChIKeyGPZDRHLVYYWXSR-UHFFFAOYSA-N
XLogP2.15
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.15
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 3-methyl-4-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-4-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione (CID 2937221) is 3-methyl-4-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-4-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-4-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione is Cc1ccc(CC2C(=O)N(c3ncccn3)C(=O)C2C)cc1.
What is the InChIKey of 3-methyl-4-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione?
The InChIKey is GPZDRHLVYYWXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-4-6-13(7-5-11)10-14-12(2)15(21)20(16(14)22)17-18-8-3-9-19-17/h3-9,12,14H,10H2,1-2H3.
What are the key properties of 3-methyl-4-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione?
3-methyl-4-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione has a molecular weight of 295.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 2937221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).