dicopper;dioxidanium;tetrakis(7H-purin-6-amine)

C20H26Cu2N20O2+6 — CID 5231973

IUPACdicopper;dioxidanium;tetrakis(7H-purin-6-amine)
SMILESNc1ncnc2nc[nH]c12.Nc1ncnc2nc[nH]c12.Nc1ncnc2nc[nH]c12.Nc1ncnc2nc[nH]c12.[Cu+2].[Cu+2].[OH3+].[OH3+]
InChIInChI=1S/4C5H5N5.2Cu.2H2O/c4*6-4-3-5(9-1-7-3)10-2-8-4;;;;/h4*1-2H,(H3,6,7,8,9,10);;;2*1H2/q;;;;2*+2;;/p+2
InChIKeyZUCUPAZHOFVZQW-UHFFFAOYSA-P
MW705.66 g/mol
LogP-2.11
Rot. Bonds

About dicopper;dioxidanium;tetrakis(7H-purin-6-amine)

dicopper;dioxidanium;tetrakis(7H-purin-6-amine) (PubChem CID 5231973) has the molecular formula C20H26Cu2N20O2+6 and a molecular weight of 705.66 g/mol. Its IUPAC name is dicopper;dioxidanium;tetrakis(7H-purin-6-amine).

Molecular Properties

Compound Namedicopper;dioxidanium;tetrakis(7H-purin-6-amine)
PubChem CID5231973
Molecular FormulaC20H26Cu2N20O2+6
Molecular Weight705.66 g/mol
Exact Mass704.11
IUPAC Namedicopper;dioxidanium;tetrakis(7H-purin-6-amine)
SMILESNc1ncnc2nc[nH]c12.Nc1ncnc2nc[nH]c12.Nc1ncnc2nc[nH]c12.Nc1ncnc2nc[nH]c12.[Cu+2].[Cu+2].[OH3+].[OH3+]
InChIInChI=1S/4C5H5N5.2Cu.2H2O/c4*6-4-3-5(9-1-7-3)10-2-8-4;;;;/h4*1-2H,(H3,6,7,8,9,10);;;2*1H2/q;;;;2*+2;;/p+2
InChIKeyZUCUPAZHOFVZQW-UHFFFAOYSA-P
XLogP-2.11
TPSA387.92 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500705.66
LogP ≤ 5-2.11
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze dicopper;dioxidanium;tetrakis(7H-purin-6-amine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7H-purin-6-amine;hydrochloride
CID 169432832
CID 67796265
CID 67796265
methanol;7H-purin-6-amine
CID 67194832
bis(7H-purin-6-amine);sulfate
CID 23616791
4-(4-aminophenyl)aniline;7H-purin-6-amine
CID 160907606
benzamide;7H-purin-6-amine
CID 66705736
sodium;2-hydroxypropanoate;7H-purin-6-amine
CID 175024161
ethane;2-methylbutan-1-amine;7H-purin-6-amine
CID 144555996
methane;2-methyl-1,7-dihydropurin-6-one;7H-purin-6-amine
CID 159357752
2-(methylamino)-3-sulfanylpropanoic acid;7H-purin-6-amine
CID 174836451
7H-purin-6-amine;1,3-selenazole-2-carboxamide
CID 87994034
phenanthridine;7H-purin-6-amine
CID 90006324

Frequently Asked Questions

What is the IUPAC name of dicopper;dioxidanium;tetrakis(7H-purin-6-amine)?
The IUPAC name of dicopper;dioxidanium;tetrakis(7H-purin-6-amine) (CID 5231973) is dicopper;dioxidanium;tetrakis(7H-purin-6-amine).
What is the SMILES notation for dicopper;dioxidanium;tetrakis(7H-purin-6-amine)?
The canonical SMILES for dicopper;dioxidanium;tetrakis(7H-purin-6-amine) is Nc1ncnc2nc[nH]c12.Nc1ncnc2nc[nH]c12.Nc1ncnc2nc[nH]c12.Nc1ncnc2nc[nH]c12.[Cu+2].[Cu+2].[OH3+].[OH3+].
What is the InChIKey of dicopper;dioxidanium;tetrakis(7H-purin-6-amine)?
The InChIKey is ZUCUPAZHOFVZQW-UHFFFAOYSA-P. The full InChI is InChI=1S/4C5H5N5.2Cu.2H2O/c4*6-4-3-5(9-1-7-3)10-2-8-4;;;;/h4*1-2H,(H3,6,7,8,9,10);;;2*1H2/q;;;;2*+2;;/p+2.
What are the key properties of dicopper;dioxidanium;tetrakis(7H-purin-6-amine)?
dicopper;dioxidanium;tetrakis(7H-purin-6-amine) has a molecular weight of 705.66 g/mol, XLogP of -2.11, 0 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;dioxidanium;tetrakis(7H-purin-6-amine) is sourced from PubChem (CID 5231973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).