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

C16H15N3O2 — CID 2976157

IUPAC3-[(3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione
SMILESCc1cccc(CC2CC(=O)N(c3ncccn3)C2=O)c1
InChIInChI=1S/C16H15N3O2/c1-11-4-2-5-12(8-11)9-13-10-14(20)19(15(13)21)16-17-6-3-7-18-16/h2-8,13H,9-10H2,1H3
InChIKeyVOSULMSUARJZJA-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.91
Rot. Bonds3

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

3-[(3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione (PubChem CID 2976157) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione
PubChem CID2976157
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name3-[(3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione
SMILESCc1cccc(CC2CC(=O)N(c3ncccn3)C2=O)c1
InChIInChI=1S/C16H15N3O2/c1-11-4-2-5-12(8-11)9-13-10-14(20)19(15(13)21)16-17-6-3-7-18-16/h2-8,13H,9-10H2,1H3
InChIKeyVOSULMSUARJZJA-UHFFFAOYSA-N
XLogP1.91
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Pyrimidin-2-yl)isoindoline-1,3-dione
CID 660266
2-(4-isobutylphenyl)-N-(2-pyrimidinyl)propanamide
CID 4462928
(3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-N-methyl-4-phenyl-1-(pyrimidine-2-carbonyl)pyrrolidine-3-carboxamide
CID 44433792
1-(4-Chloro-2-pyridinyl)-3-(1-phenylethyl)-2,5-pyrrolidinedione
CID 3753925
1-(5-Chloropyridin-2-yl)-3-(3,5-dimethylbenzyl)pyrrolidine-2,5-dione
CID 4887430
N-{[1-(3-phenylpropanoyl)piperidin-4-yl]methyl}pyrimidin-2-amine
CID 16109399
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
((3S,4S)-3-((4-(allyl(pyrimidin-2-yl)amino)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)(cyclohexyl)methanone
CID 505875
3-Methyl-4-(4-methylbenzyl)-1-(2-pyrimidinyl)-2,5-pyrrolidinedione
CID 2937221
1'-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]spiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2',5'-dione;hydrochloride
CID 13476590
1-Phenethyl-3-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidine-2,5-dione
CID 402977

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione (CID 2976157) is 3-[(3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione is Cc1cccc(CC2CC(=O)N(c3ncccn3)C2=O)c1.
What is the InChIKey of 3-[(3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione?
The InChIKey is VOSULMSUARJZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-4-2-5-12(8-11)9-13-10-14(20)19(15(13)21)16-17-6-3-7-18-16/h2-8,13H,9-10H2,1H3.
What are the key properties of 3-[(3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione?
3-[(3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione has a molecular weight of 281.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 2976157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).