2-(furan-2-ylmethylimino)-5-phenyl-1,3-diazinane-4,6-dione

C15H13N3O3 — CID 135416866

IUPAC2-(furan-2-ylmethylimino)-5-phenyl-1,3-diazinane-4,6-dione
SMILESO=C1NC(=NCc2ccco2)NC(=O)C1c1ccccc1
InChIInChI=1S/C15H13N3O3/c19-13-12(10-5-2-1-3-6-10)14(20)18-15(17-13)16-9-11-7-4-8-21-11/h1-8,12H,9H2,(H2,16,17,18,19,20)
InChIKeyPWGFTERVYKTPJL-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.17
Rot. Bonds3

About 2-(furan-2-ylmethylimino)-5-phenyl-1,3-diazinane-4,6-dione

2-(furan-2-ylmethylimino)-5-phenyl-1,3-diazinane-4,6-dione (PubChem CID 135416866) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-(furan-2-ylmethylimino)-5-phenyl-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name2-(furan-2-ylmethylimino)-5-phenyl-1,3-diazinane-4,6-dione
PubChem CID135416866
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-(furan-2-ylmethylimino)-5-phenyl-1,3-diazinane-4,6-dione
SMILESO=C1NC(=NCc2ccco2)NC(=O)C1c1ccccc1
InChIInChI=1S/C15H13N3O3/c19-13-12(10-5-2-1-3-6-10)14(20)18-15(17-13)16-9-11-7-4-8-21-11/h1-8,12H,9H2,(H2,16,17,18,19,20)
InChIKeyPWGFTERVYKTPJL-UHFFFAOYSA-N
XLogP1.17
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylimino)-5-phenyl-1,3-diazinane-4,6-dione?
The IUPAC name of 2-(furan-2-ylmethylimino)-5-phenyl-1,3-diazinane-4,6-dione (CID 135416866) is 2-(furan-2-ylmethylimino)-5-phenyl-1,3-diazinane-4,6-dione.
What is the SMILES notation for 2-(furan-2-ylmethylimino)-5-phenyl-1,3-diazinane-4,6-dione?
The canonical SMILES for 2-(furan-2-ylmethylimino)-5-phenyl-1,3-diazinane-4,6-dione is O=C1NC(=NCc2ccco2)NC(=O)C1c1ccccc1.
What is the InChIKey of 2-(furan-2-ylmethylimino)-5-phenyl-1,3-diazinane-4,6-dione?
The InChIKey is PWGFTERVYKTPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-13-12(10-5-2-1-3-6-10)14(20)18-15(17-13)16-9-11-7-4-8-21-11/h1-8,12H,9H2,(H2,16,17,18,19,20).
What are the key properties of 2-(furan-2-ylmethylimino)-5-phenyl-1,3-diazinane-4,6-dione?
2-(furan-2-ylmethylimino)-5-phenyl-1,3-diazinane-4,6-dione has a molecular weight of 283.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylimino)-5-phenyl-1,3-diazinane-4,6-dione is sourced from PubChem (CID 135416866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).