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

C15H27N19 — CID 122527806

IUPAC2-N-[2-[[4-amino-6-[2-[[4-amino-6-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESNCCNc1nc(N)nc(NCCNc2nc(N)nc(NCCNc3nc(N)nc(N)n3)n2)n1
InChIInChI=1S/C15H27N19/c16-1-2-21-12-29-9(19)30-13(33-12)24-5-6-25-15-32-10(20)31-14(34-15)23-4-3-22-11-27-7(17)26-8(18)28-11/h1-6,16H2,(H5,17,18,22,26,27,28)(H4,19,21,24,29,30,33)(H4,20,23,25,31,32,34)
InChIKeyMZZFQONBTZYEAI-UHFFFAOYSA-N
MW473.51 g/mol
LogP-3.01
Rot. Bonds13

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

2-N-[2-[[4-amino-6-[2-[[4-amino-6-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 122527806) has the molecular formula C15H27N19 and a molecular weight of 473.51 g/mol. Its IUPAC name is 2-N-[2-[[4-amino-6-[2-[[4-amino-6-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[2-[[4-amino-6-[2-[[4-amino-6-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID122527806
Molecular FormulaC15H27N19
Molecular Weight473.51 g/mol
Exact Mass473.27
IUPAC Name2-N-[2-[[4-amino-6-[2-[[4-amino-6-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESNCCNc1nc(N)nc(NCCNc2nc(N)nc(NCCNc3nc(N)nc(N)n3)n2)n1
InChIInChI=1S/C15H27N19/c16-1-2-21-12-29-9(19)30-13(33-12)24-5-6-25-15-32-10(20)31-14(34-15)23-4-3-22-11-27-7(17)26-8(18)28-11/h1-6,16H2,(H5,17,18,22,26,27,28)(H4,19,21,24,29,30,33)(H4,20,23,25,31,32,34)
InChIKeyMZZFQONBTZYEAI-UHFFFAOYSA-N
XLogP-3.01
TPSA306.26 Ų
H-Bond Donors10
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500473.51
LogP ≤ 5-3.01
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 2-N-[2-[[4-amino-6-[2-[[4-amino-6-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-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-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[2-[[4-amino-6-[2-[[4-amino-6-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4,6-triamine (CID 122527806) is 2-N-[2-[[4-amino-6-[2-[[4-amino-6-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[2-[[4-amino-6-[2-[[4-amino-6-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[2-[[4-amino-6-[2-[[4-amino-6-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4,6-triamine is NCCNc1nc(N)nc(NCCNc2nc(N)nc(NCCNc3nc(N)nc(N)n3)n2)n1.
What is the InChIKey of 2-N-[2-[[4-amino-6-[2-[[4-amino-6-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is MZZFQONBTZYEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N19/c16-1-2-21-12-29-9(19)30-13(33-12)24-5-6-25-15-32-10(20)31-14(34-15)23-4-3-22-11-27-7(17)26-8(18)28-11/h1-6,16H2,(H5,17,18,22,26,27,28)(H4,19,21,24,29,30,33)(H4,20,23,25,31,32,34).
What are the key properties of 2-N-[2-[[4-amino-6-[2-[[4-amino-6-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4,6-triamine?
2-N-[2-[[4-amino-6-[2-[[4-amino-6-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 473.51 g/mol, XLogP of -3.01, 13 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[[4-amino-6-[2-[[4-amino-6-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 122527806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).