2-N-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride

C29H28Br2Cl3N7O2 — CID 91962128

About 2-N-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride

2-N-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 91962128) has the molecular formula C29H28Br2Cl3N7O2 and a molecular weight of 772.76 g/mol. Its IUPAC name is 2-N-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

• Compound Name: 2-N-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
• PubChem CID: 91962128
• Molecular Formula: C29H28Br2Cl3N7O2
• Molecular Weight: 772.76 g/mol
• Exact Mass: 768.97
• IUPAC Name: 2-N-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
• SMILES: Cc1ccc(C)c(Nc2nc(NN=Cc3cc(Br)cc(Br)c3OCc3ccc(Cl)cc3Cl)nc(N3CCOCC3)n2)c1.Cl
• InChI: InChI=1S/C29H27Br2Cl2N7O2.ClH/c1-17-3-4-18(2)25(11-17)35-27-36-28(38-29(37-27)40-7-9-41-10-8-40)39-34-15-20-12-21(30)13-23(31)26(20)42-16-19-5-6-22(32)14-24(19)33;/h3-6,11-15H,7-10,16H2,1-2H3,(H2,35,36,37,38,39);1H
• InChIKey: HILWCROKFBLRCP-UHFFFAOYSA-N
• XLogP: 8.35
• TPSA: 96.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.76
LogP ≤ 5	8.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride?

The IUPAC name of 2-N-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride (CID 91962128) is 2-N-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride.

What is the SMILES notation for 2-N-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride?

The canonical SMILES for 2-N-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride is Cc1ccc(C)c(Nc2nc(NN=Cc3cc(Br)cc(Br)c3OCc3ccc(Cl)cc3Cl)nc(N3CCOCC3)n2)c1.Cl.

What is the InChIKey of 2-N-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride?

The InChIKey is HILWCROKFBLRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27Br2Cl2N7O2.ClH/c1-17-3-4-18(2)25(11-17)35-27-36-28(38-29(37-27)40-7-9-41-10-8-40)39-34-15-20-12-21(30)13-23(31)26(20)42-16-19-5-6-22(32)14-24(19)33;/h3-6,11-15H,7-10,16H2,1-2H3,(H2,35,36,37,38,39);1H.

What are the key properties of 2-N-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride?

2-N-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 772.76 g/mol, XLogP of 8.35, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 91962128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).