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

C19H21N3O2 — CID 2958025

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(CC2C(=O)N(c3nc(C)cc(C)n3)C(=O)C2C)cc1
InChIInChI=1S/C19H21N3O2/c1-11-5-7-15(8-6-11)10-16-14(4)17(23)22(18(16)24)19-20-12(2)9-13(3)21-19/h5-9,14,16H,10H2,1-4H3
InChIKeyVNHPBAHRXUZUNO-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.77
Rot. Bonds3

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

1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 2958025) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID2958025
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(CC2C(=O)N(c3nc(C)cc(C)n3)C(=O)C2C)cc1
InChIInChI=1S/C19H21N3O2/c1-11-5-7-15(8-6-11)10-16-14(4)17(23)22(18(16)24)19-20-12(2)9-13(3)21-19/h5-9,14,16H,10H2,1-4H3
InChIKeyVNHPBAHRXUZUNO-UHFFFAOYSA-N
XLogP2.77
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.77
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

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
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-dimethylpyrimidin-2-yl)-2,2-diphenylacetamide
CID 796555
3-Methyl-4-(4-methylbenzyl)-1-(2-pyrimidinyl)-2,5-pyrrolidinedione
CID 2937221
3-(4-Methylbenzyl)-1-(pyrimidin-2-yl)pyrrolidine-2,5-dione
CID 3801151
1-(4,6-Dimethylpyrimidin-2-yl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2955049
2-(4-((2-Cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl)methyl)phenyl)acetamide
CID 74220715
3-(3,5-Dimethyl-benzyl)-1-(4,6-dimethyl-pyrimidin-2-yl)-pyrrolidine-2,5-dione
CID 644997
3-Benzyl-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione
CID 2956118
2-(4-((2-Cyclopentyl-6-ethylpyrimidin-4-yl)methyl)phenyl)acetamide
CID 90113033

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione (CID 2958025) is 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione is Cc1ccc(CC2C(=O)N(c3nc(C)cc(C)n3)C(=O)C2C)cc1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is VNHPBAHRXUZUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-11-5-7-15(8-6-11)10-16-14(4)17(23)22(18(16)24)19-20-12(2)9-13(3)21-19/h5-9,14,16H,10H2,1-4H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 323.40 g/mol, XLogP of 2.77, 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-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2958025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).