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

C19H21N3O2 — CID 644997

IUPAC3-[(3,5-dimethylphenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione
SMILESCc1cc(C)cc(CC2CC(=O)N(c3nc(C)cc(C)n3)C2=O)c1
InChIInChI=1S/C19H21N3O2/c1-11-5-12(2)7-15(6-11)9-16-10-17(23)22(18(16)24)19-20-13(3)8-14(4)21-19/h5-8,16H,9-10H2,1-4H3
InChIKeyUPQCHNSBQUKNAY-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.83
Rot. Bonds3

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

3-[(3,5-dimethylphenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione (PubChem CID 644997) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[(3,5-dimethylphenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3,5-dimethylphenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione
PubChem CID644997
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-[(3,5-dimethylphenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione
SMILESCc1cc(C)cc(CC2CC(=O)N(c3nc(C)cc(C)n3)C2=O)c1
InChIInChI=1S/C19H21N3O2/c1-11-5-12(2)7-15(6-11)9-16-10-17(23)22(18(16)24)19-20-13(3)8-14(4)21-19/h5-8,16H,9-10H2,1-4H3
InChIKeyUPQCHNSBQUKNAY-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
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

(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
1-(4,6-Dimethyl-2-pyrimidinyl)-3-methyl-4-(4-methylbenzyl)-2,5-pyrrolidinedione
CID 2958025
1-(4,6-Dimethylpyrimidin-2-yl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2955049
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
1-(6-Methylpyridin-2-yl)-3-phenylpyrrolidine-2,5-dione
CID 3076814
2-(4,6-Dimethyl-pyrimidin-2-yl)-5-methyl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione
CID 648029
3-(3-Methylbenzyl)-1-(pyrimidin-2-yl)pyrrolidine-2,5-dione
CID 2976157

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylphenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[(3,5-dimethylphenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione (CID 644997) is 3-[(3,5-dimethylphenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3,5-dimethylphenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3,5-dimethylphenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione is Cc1cc(C)cc(CC2CC(=O)N(c3nc(C)cc(C)n3)C2=O)c1.
What is the InChIKey of 3-[(3,5-dimethylphenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione?
The InChIKey is UPQCHNSBQUKNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-11-5-12(2)7-15(6-11)9-16-10-17(23)22(18(16)24)19-20-13(3)8-14(4)21-19/h5-8,16H,9-10H2,1-4H3.
What are the key properties of 3-[(3,5-dimethylphenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione?
3-[(3,5-dimethylphenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione has a molecular weight of 323.40 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylphenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 644997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).