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

C15H26N18 — CID 122532303

IUPAC2-N-[2-[[4-amino-6-[2-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(N)nc(NCCNc2nc(N)nc(NCCNc3nc(N)nc(NC)n3)n2)n1
InChIInChI=1S/C15H26N18/c1-19-10-25-7(16)27-12(31-10)21-3-5-23-14-29-9(18)30-15(33-14)24-6-4-22-13-28-8(17)26-11(20-2)32-13/h3-6H2,1-2H3,(H4,16,19,21,25,27,31)(H4,17,20,22,26,28,32)(H4,18,23,24,29,30,33)
InChIKeyKKGSQKKEXSULQC-UHFFFAOYSA-N
MW458.50 g/mol
LogP-1.88
Rot. Bonds12

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

2-N-[2-[[4-amino-6-[2-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 122532303) has the molecular formula C15H26N18 and a molecular weight of 458.50 g/mol. Its IUPAC name is 2-N-[2-[[4-amino-6-[2-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[2-[[4-amino-6-[2-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID122532303
Molecular FormulaC15H26N18
Molecular Weight458.50 g/mol
Exact Mass458.26
IUPAC Name2-N-[2-[[4-amino-6-[2-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(N)nc(NCCNc2nc(N)nc(NCCNc3nc(N)nc(NC)n3)n2)n1
InChIInChI=1S/C15H26N18/c1-19-10-25-7(16)27-12(31-10)21-3-5-23-14-29-9(18)30-15(33-14)24-6-4-22-13-28-8(17)26-11(20-2)32-13/h3-6H2,1-2H3,(H4,16,19,21,25,27,31)(H4,17,20,22,26,28,32)(H4,18,23,24,29,30,33)
InChIKeyKKGSQKKEXSULQC-UHFFFAOYSA-N
XLogP-1.88
TPSA266.25 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500458.50
LogP ≤ 5-1.88
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[[4-amino-6-[2-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[2-[[4-amino-6-[2-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 122532303) is 2-N-[2-[[4-amino-6-[2-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[2-[[4-amino-6-[2-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[2-[[4-amino-6-[2-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine is CNc1nc(N)nc(NCCNc2nc(N)nc(NCCNc3nc(N)nc(NC)n3)n2)n1.
What is the InChIKey of 2-N-[2-[[4-amino-6-[2-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is KKGSQKKEXSULQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N18/c1-19-10-25-7(16)27-12(31-10)21-3-5-23-14-29-9(18)30-15(33-14)24-6-4-22-13-28-8(17)26-11(20-2)32-13/h3-6H2,1-2H3,(H4,16,19,21,25,27,31)(H4,17,20,22,26,28,32)(H4,18,23,24,29,30,33).
What are the key properties of 2-N-[2-[[4-amino-6-[2-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine?
2-N-[2-[[4-amino-6-[2-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 458.50 g/mol, XLogP of -1.88, 12 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[[4-amino-6-[2-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 122532303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).