5-butyl-5-phenyl-1,3-diazinane-2,4,6-trione

C14H16N2O3 — CID 26109

IUPAC5-butyl-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCCCC1(c2ccccc2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C14H16N2O3/c1-2-3-9-14(10-7-5-4-6-8-10)11(17)15-13(19)16-12(14)18/h4-8H,2-3,9H2,1H3,(H2,15,16,17,18,19)
InChIKeyIFHBURLPIXMUQI-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.48
Rot. Bonds4

About 5-butyl-5-phenyl-1,3-diazinane-2,4,6-trione

5-butyl-5-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 26109) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-butyl-5-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-butyl-5-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID26109
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-butyl-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCCCC1(c2ccccc2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C14H16N2O3/c1-2-3-9-14(10-7-5-4-6-8-10)11(17)15-13(19)16-12(14)18/h4-8H,2-3,9H2,1H3,(H2,15,16,17,18,19)
InChIKeyIFHBURLPIXMUQI-UHFFFAOYSA-N
XLogP1.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.48
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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Frequently Asked Questions

What is the IUPAC name of 5-butyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-butyl-5-phenyl-1,3-diazinane-2,4,6-trione (CID 26109) is 5-butyl-5-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-butyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-butyl-5-phenyl-1,3-diazinane-2,4,6-trione is CCCCC1(c2ccccc2)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-butyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is IFHBURLPIXMUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-3-9-14(10-7-5-4-6-8-10)11(17)15-13(19)16-12(14)18/h4-8H,2-3,9H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 5-butyl-5-phenyl-1,3-diazinane-2,4,6-trione?
5-butyl-5-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 260.29 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 26109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).