5-(2-methylphenyl)-1,3-diazinane-2,4,6-trione

C11H10N2O3 — CID 67931396

IUPAC5-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
SMILESCc1ccccc1C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C11H10N2O3/c1-6-4-2-3-5-7(6)8-9(14)12-11(16)13-10(8)15/h2-5,8H,1H3,(H2,12,13,14,15,16)
InChIKeyGTSNTVXOCZCVIK-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.44
Rot. Bonds1

About 5-(2-methylphenyl)-1,3-diazinane-2,4,6-trione

5-(2-methylphenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 67931396) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 5-(2-methylphenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
PubChem CID67931396
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name5-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
SMILESCc1ccccc1C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C11H10N2O3/c1-6-4-2-3-5-7(6)8-9(14)12-11(16)13-10(8)15/h2-5,8H,1H3,(H2,12,13,14,15,16)
InChIKeyGTSNTVXOCZCVIK-UHFFFAOYSA-N
XLogP0.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(2-methylphenyl)-4-sulfanylidenepyrrolidine-2,5-dione
CID 21486134
2-(1-aminoethyl)-5-(2-methylphenyl)-1H-pyrimidine-4,6-dione
CID 79502737
2-(1-chloroethyl)-5-(2-methylphenyl)-1H-pyrimidine-4,6-dione
CID 80656170
ethane;6-(2-methylphenyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
CID 136660737
5-(2,3-dimethylphenyl)imidazolidine-2,4-dione
CID 62871197
(2Z,3S)-3-(2-methylphenyl)-2-[(1S)-1-(2-methylphenyl)-3-oxo-1H-inden-2-ylidene]-3H-inden-1-one
CID 11797380
5-(2-methylphenyl)-2-pyrrolidin-2-yl-1H-pyrimidine-4,6-dione
CID 79501230
ditert-butyl 2,6-dimethyl-4-(2-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 143259739
5-[2-(4-bromophenoxy)phenyl]-1,3-diazinane-2,4,6-trione
CID 134952976
4,4-dimethyl-3-(2-methylphenyl)piperidine-2,6-dione
CID 79418120
3-(2-methylphenyl)pyrrolidin-2-one
CID 71758474
5-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 2865430

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(2-methylphenyl)-1,3-diazinane-2,4,6-trione (CID 67931396) is 5-(2-methylphenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(2-methylphenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(2-methylphenyl)-1,3-diazinane-2,4,6-trione is Cc1ccccc1C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-(2-methylphenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is GTSNTVXOCZCVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-6-4-2-3-5-7(6)8-9(14)12-11(16)13-10(8)15/h2-5,8H,1H3,(H2,12,13,14,15,16).
What are the key properties of 5-(2-methylphenyl)-1,3-diazinane-2,4,6-trione?
5-(2-methylphenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 218.21 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 67931396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).