N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)butyl]amino]ethyl]propane-1,3-diamine

C24H38N12 — CID 159580241

About N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)butyl]amino]ethyl]propane-1,3-diamine

N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)butyl]amino]ethyl]propane-1,3-diamine (PubChem CID 159580241) has the molecular formula C24H38N12 and a molecular weight of 494.65 g/mol. Its IUPAC name is N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)butyl]amino]ethyl]propane-1,3-diamine.

Molecular Properties

• Compound Name: N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)butyl]amino]ethyl]propane-1,3-diamine
• PubChem CID: 159580241
• Molecular Formula: C24H38N12
• Molecular Weight: 494.65 g/mol
• Exact Mass: 494.33
• IUPAC Name: N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)butyl]amino]ethyl]propane-1,3-diamine
• SMILES: Cc1nc(C)nc(CCCCN(CCNCCCNc2nc(C)nc(C)n2)c2nc(C)nc(C)n2)n1
• InChI: InChI=1S/C24H38N12/c1-16-27-17(2)31-22(30-16)10-7-8-14-36(24-34-20(5)29-21(6)35-24)15-13-25-11-9-12-26-23-32-18(3)28-19(4)33-23/h25H,7-15H2,1-6H3,(H,26,28,32,33)
• InChIKey: UZLSJBCQZPNEHF-UHFFFAOYSA-N
• XLogP: 2.01
• TPSA: 143.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.65
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)butyl]amino]ethyl]propane-1,3-diamine?

The IUPAC name of N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)butyl]amino]ethyl]propane-1,3-diamine (CID 159580241) is N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)butyl]amino]ethyl]propane-1,3-diamine.

What is the SMILES notation for N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)butyl]amino]ethyl]propane-1,3-diamine?

The canonical SMILES for N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)butyl]amino]ethyl]propane-1,3-diamine is Cc1nc(C)nc(CCCCN(CCNCCCNc2nc(C)nc(C)n2)c2nc(C)nc(C)n2)n1.

What is the InChIKey of N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)butyl]amino]ethyl]propane-1,3-diamine?

The InChIKey is UZLSJBCQZPNEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N12/c1-16-27-17(2)31-22(30-16)10-7-8-14-36(24-34-20(5)29-21(6)35-24)15-13-25-11-9-12-26-23-32-18(3)28-19(4)33-23/h25H,7-15H2,1-6H3,(H,26,28,32,33).

What are the key properties of N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)butyl]amino]ethyl]propane-1,3-diamine?

N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)butyl]amino]ethyl]propane-1,3-diamine has a molecular weight of 494.65 g/mol, XLogP of 2.01, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)butyl]amino]ethyl]propane-1,3-diamine is sourced from PubChem (CID 159580241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).