2-N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine

C24H20BrCl2N7O — CID 6288694

About 2-N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine

2-N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 6288694) has the molecular formula C24H20BrCl2N7O and a molecular weight of 573.28 g/mol. Its IUPAC name is 2-N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 6288694
• Molecular Formula: C24H20BrCl2N7O
• Molecular Weight: 573.28 g/mol
• Exact Mass: 571.03
• IUPAC Name: 2-N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
• SMILES: CNc1nc(N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)nc(Nc2ccccc2)n1
• InChI: InChI=1S/C24H20BrCl2N7O/c1-28-22-31-23(30-19-5-3-2-4-6-19)33-24(32-22)34-29-13-16-11-17(25)8-10-21(16)35-14-15-7-9-18(26)12-20(15)27/h2-13H,14H2,1H3,(H3,28,30,31,32,33,34)/b29-13-
• InChIKey: JXBBRTQTQFVQAM-DBFSUHOCSA-N
• XLogP: 6.75
• TPSA: 96.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.28
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 2-N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine (CID 6288694) is 2-N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 2-N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 2-N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine is CNc1nc(N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)nc(Nc2ccccc2)n1.

What is the InChIKey of 2-N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine?

The InChIKey is JXBBRTQTQFVQAM-DBFSUHOCSA-N. The full InChI is InChI=1S/C24H20BrCl2N7O/c1-28-22-31-23(30-19-5-3-2-4-6-19)33-24(32-22)34-29-13-16-11-17(25)8-10-21(16)35-14-15-7-9-18(26)12-20(15)27/h2-13H,14H2,1H3,(H3,28,30,31,32,33,34)/b29-13-.

What are the key properties of 2-N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine?

2-N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 573.28 g/mol, XLogP of 6.75, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 6288694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).