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

C13H22N18 — CID 11970649

IUPAC2-N-[2-[[4-amino-6-[2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(NCCNc2nc(N)nc(NCCNc3nc(N)nc(N)n3)n2)n1
InChIInChI=1S/C13H22N18/c14-5-23-6(15)26-10(25-5)19-1-3-21-12-29-9(18)30-13(31-12)22-4-2-20-11-27-7(16)24-8(17)28-11/h1-4H2,(H5,14,15,19,23,25,26)(H5,16,17,20,24,27,28)(H4,18,21,22,29,30,31)
InChIKeyAADKOQARFMAFHR-UHFFFAOYSA-N
MW430.45 g/mol
LogP-2.80
Rot. Bonds10

About 2-N-[2-[[4-amino-6-[2-[(4,6-diamino-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-[(4,6-diamino-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 11970649) has the molecular formula C13H22N18 and a molecular weight of 430.45 g/mol. Its IUPAC name is 2-N-[2-[[4-amino-6-[2-[(4,6-diamino-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-[(4,6-diamino-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 CID11970649
Molecular FormulaC13H22N18
Molecular Weight430.45 g/mol
Exact Mass430.23
IUPAC Name2-N-[2-[[4-amino-6-[2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(NCCNc2nc(N)nc(NCCNc3nc(N)nc(N)n3)n2)n1
InChIInChI=1S/C13H22N18/c14-5-23-6(15)26-10(25-5)19-1-3-21-12-29-9(18)30-13(31-12)22-4-2-20-11-27-7(16)24-8(17)28-11/h1-4H2,(H5,14,15,19,23,25,26)(H5,16,17,20,24,27,28)(H4,18,21,22,29,30,31)
InChIKeyAADKOQARFMAFHR-UHFFFAOYSA-N
XLogP-2.80
TPSA294.23 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500430.45
LogP ≤ 5-2.80
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-[(4,6-diamino-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-[(4,6-diamino-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-[(4,6-diamino-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 11970649) is 2-N-[2-[[4-amino-6-[2-[(4,6-diamino-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-[(4,6-diamino-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-[(4,6-diamino-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 Nc1nc(N)nc(NCCNc2nc(N)nc(NCCNc3nc(N)nc(N)n3)n2)n1.
What is the InChIKey of 2-N-[2-[[4-amino-6-[2-[(4,6-diamino-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 AADKOQARFMAFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N18/c14-5-23-6(15)26-10(25-5)19-1-3-21-12-29-9(18)30-13(31-12)22-4-2-20-11-27-7(16)24-8(17)28-11/h1-4H2,(H5,14,15,19,23,25,26)(H5,16,17,20,24,27,28)(H4,18,21,22,29,30,31).
What are the key properties of 2-N-[2-[[4-amino-6-[2-[(4,6-diamino-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-[(4,6-diamino-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 430.45 g/mol, XLogP of -2.80, 10 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-[(4,6-diamino-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 11970649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).