5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C13H14N2O3 — CID 27002

IUPAC5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(Cc2ccccc2)C(=O)N(C)C1=O
InChIInChI=1S/C13H14N2O3/c1-14-11(16)10(12(17)15(2)13(14)18)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKeyJOBKZALYQYGIAA-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.90
Rot. Bonds2

About 5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 27002) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID27002
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(Cc2ccccc2)C(=O)N(C)C1=O
InChIInChI=1S/C13H14N2O3/c1-14-11(16)10(12(17)15(2)13(14)18)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKeyJOBKZALYQYGIAA-UHFFFAOYSA-N
XLogP0.90
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 27002) is 5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CN1C(=O)C(Cc2ccccc2)C(=O)N(C)C1=O.
What is the InChIKey of 5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is JOBKZALYQYGIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-14-11(16)10(12(17)15(2)13(14)18)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3.
What are the key properties of 5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 246.27 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 27002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).