5-benzyl-1,3-diazinane-2,4,6-trione;5-benzylidene-1,3-diazinane-2,4,6-trione;5-[(3-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(cyclohexylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(3,4-dichlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(4-fluorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(pyridin-3-ylmethylidene)-1,3-diazinane-2,4,6-trione

C88H69Cl3FN17O25 — CID 160908538

About 5-benzyl-1,3-diazinane-2,4,6-trione;5-benzylidene-1,3-diazinane-2,4,6-trione;5-[(3-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(cyclohexylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(3,4-dichlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(4-fluorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(pyridin-3-ylmethylidene)-1,3-diazinane-2,4,6-trione

5-benzyl-1,3-diazinane-2,4,6-trione;5-benzylidene-1,3-diazinane-2,4,6-trione;5-[(3-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(cyclohexylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(3,4-dichlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(4-fluorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(pyridin-3-ylmethylidene)-1,3-diazinane-2,4,6-trione (PubChem CID 160908538) has the molecular formula C88H69Cl3FN17O25 and a molecular weight of 1889.97 g/mol. Its IUPAC name is 5-benzyl-1,3-diazinane-2,4,6-trione;5-benzylidene-1,3-diazinane-2,4,6-trione;5-[(3-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(cyclohexylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(3,4-dichlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(4-fluorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(pyridin-3-ylmethylidene)-1,3-diazinane-2,4,6-trione.

Molecular Properties

• Compound Name: 5-benzyl-1,3-diazinane-2,4,6-trione;5-benzylidene-1,3-diazinane-2,4,6-trione;5-[(3-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(cyclohexylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(3,4-dichlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(4-fluorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(pyridin-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
• PubChem CID: 160908538
• Molecular Formula: C88H69Cl3FN17O25
• Molecular Weight: 1889.97 g/mol
• Exact Mass: 1887.37
• IUPAC Name: 5-benzyl-1,3-diazinane-2,4,6-trione;5-benzylidene-1,3-diazinane-2,4,6-trione;5-[(3-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(cyclohexylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(3,4-dichlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(4-fluorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(pyridin-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
• SMILES: COc1cccc(C=C2C(=O)NC(=O)NC2=O)c1.O=C1NC(=O)C(=CC2CCCCC2)C(=O)N1.O=C1NC(=O)C(=Cc2ccc(Cl)c(Cl)c2)C(=O)N1.O=C1NC(=O)C(=Cc2ccc(F)cc2)C(=O)N1.O=C1NC(=O)C(=Cc2cccc(Cl)c2)C(=O)N1.O=C1NC(=O)C(=Cc2ccccc2)C(=O)N1.O=C1NC(=O)C(=Cc2cccnc2)C(=O)N1.O=C1NC(=O)C(Cc2ccccc2)C(=O)N1
• InChI: InChI=1S/C12H10N2O4.C11H6Cl2N2O3.C11H7ClN2O3.C11H7FN2O3.C11H14N2O3.C11H10N2O3.C11H8N2O3.C10H7N3O3/c1-18-8-4-2-3-7(5-8)6-9-10(15)13-12(17)14-11(9)16;12-7-2-1-5(4-8(7)13)3-6-9(16)14-11(18)15-10(6)17;12-7-3-1-2-6(4-7)5-8-9(15)13-11(17)14-10(8)16;12-7-3-1-6(2-4-7)5-8-9(15)13-11(17)14-10(8)16;3*14-9-8(10(15)13-11(16)12-9)6-7-4-2-1-3-5-7;14-8-7(9(15)13-10(16)12-8)4-6-2-1-3-11-5-6/h2-6H,1H3,(H2,13,14,15,16,17);1-4H,(H2,14,15,16,17,18);2*1-5H,(H2,13,14,15,16,17);6-7H,1-5H2,(H2,12,13,14,15,16);1-5,8H,6H2,(H2,12,13,14,15,16);1-6H,(H2,12,13,14,15,16);1-5H,(H2,12,13,14,15,16)
• InChIKey: SQLRYMQLQBVRSV-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 624.28 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 26
• Rotatable Bonds: 10
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1889.97
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1,3-diazinane-2,4,6-trione;5-benzylidene-1,3-diazinane-2,4,6-trione;5-[(3-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(cyclohexylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(3,4-dichlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(4-fluorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(pyridin-3-ylmethylidene)-1,3-diazinane-2,4,6-trione?

The IUPAC name of 5-benzyl-1,3-diazinane-2,4,6-trione;5-benzylidene-1,3-diazinane-2,4,6-trione;5-[(3-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(cyclohexylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(3,4-dichlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(4-fluorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(pyridin-3-ylmethylidene)-1,3-diazinane-2,4,6-trione (CID 160908538) is 5-benzyl-1,3-diazinane-2,4,6-trione;5-benzylidene-1,3-diazinane-2,4,6-trione;5-[(3-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(cyclohexylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(3,4-dichlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(4-fluorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(pyridin-3-ylmethylidene)-1,3-diazinane-2,4,6-trione.

What is the SMILES notation for 5-benzyl-1,3-diazinane-2,4,6-trione;5-benzylidene-1,3-diazinane-2,4,6-trione;5-[(3-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(cyclohexylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(3,4-dichlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(4-fluorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(pyridin-3-ylmethylidene)-1,3-diazinane-2,4,6-trione?

The canonical SMILES for 5-benzyl-1,3-diazinane-2,4,6-trione;5-benzylidene-1,3-diazinane-2,4,6-trione;5-[(3-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(cyclohexylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(3,4-dichlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(4-fluorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(pyridin-3-ylmethylidene)-1,3-diazinane-2,4,6-trione is COc1cccc(C=C2C(=O)NC(=O)NC2=O)c1.O=C1NC(=O)C(=CC2CCCCC2)C(=O)N1.O=C1NC(=O)C(=Cc2ccc(Cl)c(Cl)c2)C(=O)N1.O=C1NC(=O)C(=Cc2ccc(F)cc2)C(=O)N1.O=C1NC(=O)C(=Cc2cccc(Cl)c2)C(=O)N1.O=C1NC(=O)C(=Cc2ccccc2)C(=O)N1.O=C1NC(=O)C(=Cc2cccnc2)C(=O)N1.O=C1NC(=O)C(Cc2ccccc2)C(=O)N1.

What is the InChIKey of 5-benzyl-1,3-diazinane-2,4,6-trione;5-benzylidene-1,3-diazinane-2,4,6-trione;5-[(3-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(cyclohexylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(3,4-dichlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(4-fluorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(pyridin-3-ylmethylidene)-1,3-diazinane-2,4,6-trione?

The InChIKey is SQLRYMQLQBVRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4.C11H6Cl2N2O3.C11H7ClN2O3.C11H7FN2O3.C11H14N2O3.C11H10N2O3.C11H8N2O3.C10H7N3O3/c1-18-8-4-2-3-7(5-8)6-9-10(15)13-12(17)14-11(9)16;12-7-2-1-5(4-8(7)13)3-6-9(16)14-11(18)15-10(6)17;12-7-3-1-2-6(4-7)5-8-9(15)13-11(17)14-10(8)16;12-7-3-1-6(2-4-7)5-8-9(15)13-11(17)14-10(8)16;3*14-9-8(10(15)13-11(16)12-9)6-7-4-2-1-3-5-7;14-8-7(9(15)13-10(16)12-8)4-6-2-1-3-11-5-6/h2-6H,1H3,(H2,13,14,15,16,17);1-4H,(H2,14,15,16,17,18);2*1-5H,(H2,13,14,15,16,17);6-7H,1-5H2,(H2,12,13,14,15,16);1-5,8H,6H2,(H2,12,13,14,15,16);1-6H,(H2,12,13,14,15,16);1-5H,(H2,12,13,14,15,16).

What are the key properties of 5-benzyl-1,3-diazinane-2,4,6-trione;5-benzylidene-1,3-diazinane-2,4,6-trione;5-[(3-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(cyclohexylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(3,4-dichlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(4-fluorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(pyridin-3-ylmethylidene)-1,3-diazinane-2,4,6-trione?

5-benzyl-1,3-diazinane-2,4,6-trione;5-benzylidene-1,3-diazinane-2,4,6-trione;5-[(3-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(cyclohexylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(3,4-dichlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(4-fluorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(pyridin-3-ylmethylidene)-1,3-diazinane-2,4,6-trione has a molecular weight of 1889.97 g/mol, XLogP of 5.19, 10 rotatable bonds, 16 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-1,3-diazinane-2,4,6-trione;5-benzylidene-1,3-diazinane-2,4,6-trione;5-[(3-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(cyclohexylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(3,4-dichlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(4-fluorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-[(3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione;5-(pyridin-3-ylmethylidene)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 160908538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).