5-[(4-phenylphenyl)iminomethyl]-1,3-diazinane-2,4,6-trione

C17H13N3O3 — CID 73333942

IUPAC5-[(4-phenylphenyl)iminomethyl]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(/C=N/c2ccc(-c3ccccc3)cc2)C(=O)N1
InChIInChI=1S/C17H13N3O3/c21-15-14(16(22)20-17(23)19-15)10-18-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10,14H,(H2,19,20,21,22,23)/b18-10+
InChIKeyGXYUTLIOFUPGGS-VCHYOVAHSA-N
MW307.31 g/mol
LogP2.04
Rot. Bonds3

About 5-[(4-phenylphenyl)iminomethyl]-1,3-diazinane-2,4,6-trione

5-[(4-phenylphenyl)iminomethyl]-1,3-diazinane-2,4,6-trione (PubChem CID 73333942) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 5-[(4-phenylphenyl)iminomethyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(4-phenylphenyl)iminomethyl]-1,3-diazinane-2,4,6-trione
PubChem CID73333942
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name5-[(4-phenylphenyl)iminomethyl]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(/C=N/c2ccc(-c3ccccc3)cc2)C(=O)N1
InChIInChI=1S/C17H13N3O3/c21-15-14(16(22)20-17(23)19-15)10-18-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10,14H,(H2,19,20,21,22,23)/b18-10+
InChIKeyGXYUTLIOFUPGGS-VCHYOVAHSA-N
XLogP2.04
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.04
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 5-[(4-phenylphenyl)iminomethyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(4-phenylphenyl)iminomethyl]-1,3-diazinane-2,4,6-trione (CID 73333942) is 5-[(4-phenylphenyl)iminomethyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(4-phenylphenyl)iminomethyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(4-phenylphenyl)iminomethyl]-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(/C=N/c2ccc(-c3ccccc3)cc2)C(=O)N1.
What is the InChIKey of 5-[(4-phenylphenyl)iminomethyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is GXYUTLIOFUPGGS-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-15-14(16(22)20-17(23)19-15)10-18-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10,14H,(H2,19,20,21,22,23)/b18-10+.
What are the key properties of 5-[(4-phenylphenyl)iminomethyl]-1,3-diazinane-2,4,6-trione?
5-[(4-phenylphenyl)iminomethyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 307.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-phenylphenyl)iminomethyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 73333942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).