2-[[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-diiodophenol

C16H19I2N7O2 — CID 4525863

About 2-[[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-diiodophenol

2-[[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-diiodophenol (PubChem CID 4525863) has the molecular formula C16H19I2N7O2 and a molecular weight of 595.18 g/mol. Its IUPAC name is 2-[[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-diiodophenol.

Molecular Properties

• Compound Name: 2-[[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-diiodophenol
• PubChem CID: 4525863
• Molecular Formula: C16H19I2N7O2
• Molecular Weight: 595.18 g/mol
• Exact Mass: 594.97
• IUPAC Name: 2-[[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-diiodophenol
• SMILES: CN(C)c1nc(NN=Cc2cc(I)cc(I)c2O)nc(N2CCOCC2)n1
• InChI: InChI=1S/C16H19I2N7O2/c1-24(2)15-20-14(21-16(22-15)25-3-5-27-6-4-25)23-19-9-10-7-11(17)8-12(18)13(10)26/h7-9,26H,3-6H2,1-2H3,(H,20,21,22,23)
• InChIKey: NWCDZLKYSOBLNV-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 99.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.18
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-diiodophenol?

The IUPAC name of 2-[[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-diiodophenol (CID 4525863) is 2-[[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-diiodophenol.

What is the SMILES notation for 2-[[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-diiodophenol?

The canonical SMILES for 2-[[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-diiodophenol is CN(C)c1nc(NN=Cc2cc(I)cc(I)c2O)nc(N2CCOCC2)n1.

What is the InChIKey of 2-[[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-diiodophenol?

The InChIKey is NWCDZLKYSOBLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19I2N7O2/c1-24(2)15-20-14(21-16(22-15)25-3-5-27-6-4-25)23-19-9-10-7-11(17)8-12(18)13(10)26/h7-9,26H,3-6H2,1-2H3,(H,20,21,22,23).

What are the key properties of 2-[[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-diiodophenol?

2-[[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-diiodophenol has a molecular weight of 595.18 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-diiodophenol is sourced from PubChem (CID 4525863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).