2-N-[[[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-N-pentyl-1,3,5-triazine-2,4,6-triamine

C15H28N12 — CID 146588416

About 2-N-[[[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-N-pentyl-1,3,5-triazine-2,4,6-triamine

2-N-[[[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-N-pentyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 146588416) has the molecular formula C15H28N12 and a molecular weight of 376.47 g/mol. Its IUPAC name is 2-N-[[[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-N-pentyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N-[[[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-N-pentyl-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 146588416
• Molecular Formula: C15H28N12
• Molecular Weight: 376.47 g/mol
• Exact Mass: 376.26
• IUPAC Name: 2-N-[[[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-N-pentyl-1,3,5-triazine-2,4,6-triamine
• SMILES: CCCCCN(CNc1nc(NC)nc(NCC)n1)c1nc(N)nc(N)n1
• InChI: InChI=1S/C15H28N12/c1-4-6-7-8-27(15-22-10(16)21-11(17)23-15)9-20-14-25-12(18-3)24-13(26-14)19-5-2/h4-9H2,1-3H3,(H4,16,17,21,22,23)(H3,18,19,20,24,25,26)
• InChIKey: DAZCFZFEUZNVSH-UHFFFAOYSA-N
• XLogP: 0.76
• TPSA: 168.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	376.47
LogP ≤ 5	0.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N-[[[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-N-pentyl-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 2-N-[[[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-N-pentyl-1,3,5-triazine-2,4,6-triamine (CID 146588416) is 2-N-[[[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-N-pentyl-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 2-N-[[[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-N-pentyl-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 2-N-[[[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-N-pentyl-1,3,5-triazine-2,4,6-triamine is CCCCCN(CNc1nc(NC)nc(NCC)n1)c1nc(N)nc(N)n1.

What is the InChIKey of 2-N-[[[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-N-pentyl-1,3,5-triazine-2,4,6-triamine?

The InChIKey is DAZCFZFEUZNVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N12/c1-4-6-7-8-27(15-22-10(16)21-11(17)23-15)9-20-14-25-12(18-3)24-13(26-14)19-5-2/h4-9H2,1-3H3,(H4,16,17,21,22,23)(H3,18,19,20,24,25,26).

What are the key properties of 2-N-[[[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-N-pentyl-1,3,5-triazine-2,4,6-triamine?

2-N-[[[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-N-pentyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 376.47 g/mol, XLogP of 0.76, 11 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[[[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-N-pentyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 146588416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).