2-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine

C24H21Cl2N7O2 — CID 6242628

About 2-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine

2-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 6242628) has the molecular formula C24H21Cl2N7O2 and a molecular weight of 510.39 g/mol. Its IUPAC name is 2-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
• PubChem CID: 6242628
• Molecular Formula: C24H21Cl2N7O2
• Molecular Weight: 510.39 g/mol
• Exact Mass: 509.11
• IUPAC Name: 2-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
• SMILES: Clc1cccc(-c2ccc(/C=N\Nc3nc(Nc4ccccc4)nc(N4CCOCC4)n3)o2)c1Cl
• InChI: InChI=1S/C24H21Cl2N7O2/c25-19-8-4-7-18(21(19)26)20-10-9-17(35-20)15-27-32-23-29-22(28-16-5-2-1-3-6-16)30-24(31-23)33-11-13-34-14-12-33/h1-10,15H,11-14H2,(H2,28,29,30,31,32)/b27-15-
• InChIKey: CYNOZCXOHKGXBB-DICXZTSXSA-N
• XLogP: 5.46
• TPSA: 100.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.39
LogP ≤ 5	5.46
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-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine (CID 6242628) is 2-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 2-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 2-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine is Clc1cccc(-c2ccc(/C=N\Nc3nc(Nc4ccccc4)nc(N4CCOCC4)n3)o2)c1Cl.

What is the InChIKey of 2-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine?

The InChIKey is CYNOZCXOHKGXBB-DICXZTSXSA-N. The full InChI is InChI=1S/C24H21Cl2N7O2/c25-19-8-4-7-18(21(19)26)20-10-9-17(35-20)15-27-32-23-29-22(28-16-5-2-1-3-6-16)30-24(31-23)33-11-13-34-14-12-33/h1-10,15H,11-14H2,(H2,28,29,30,31,32)/b27-15-.

What are the key properties of 2-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine?

2-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 510.39 g/mol, XLogP of 5.46, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 6242628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).