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

C17H17N3O2 — CID 2956118

IUPAC3-benzyl-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione
SMILESCc1cc(C)nc(N2C(=O)CC(Cc3ccccc3)C2=O)n1
InChIInChI=1S/C17H17N3O2/c1-11-8-12(2)19-17(18-11)20-15(21)10-14(16(20)22)9-13-6-4-3-5-7-13/h3-8,14H,9-10H2,1-2H3
InChIKeyIDMOFQZIRPRNBQ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.22
Rot. Bonds3

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

3-benzyl-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione (PubChem CID 2956118) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-benzyl-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione
PubChem CID2956118
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-benzyl-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione
SMILESCc1cc(C)nc(N2C(=O)CC(Cc3ccccc3)C2=O)n1
InChIInChI=1S/C17H17N3O2/c1-11-8-12(2)19-17(18-11)20-15(21)10-14(16(20)22)9-13-6-4-3-5-7-13/h3-8,14H,9-10H2,1-2H3
InChIKeyIDMOFQZIRPRNBQ-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
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
3-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2889774
(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
N-(2,6-diphenylpyrimidin-4-yl)cyclopentanecarboxamide
CID 11462033
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
N-{[(4,6-dimethyl-2-pyrimidinyl)amino]carbonyl}benzamide
CID 934537

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-benzyl-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione (CID 2956118) is 3-benzyl-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-benzyl-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-benzyl-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione is Cc1cc(C)nc(N2C(=O)CC(Cc3ccccc3)C2=O)n1.
What is the InChIKey of 3-benzyl-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione?
The InChIKey is IDMOFQZIRPRNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-8-12(2)19-17(18-11)20-15(21)10-14(16(20)22)9-13-6-4-3-5-7-13/h3-8,14H,9-10H2,1-2H3.
What are the key properties of 3-benzyl-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione?
3-benzyl-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione has a molecular weight of 295.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2956118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).