2-(6-amino-7H-purin-9-ium-9-yl)-N-hydroxyacetamide

C7H9N6O2+ — CID 135442244

IUPAC2-(6-amino-7H-purin-9-ium-9-yl)-N-hydroxyacetamide
SMILESNc1ncnc2c1[nH]c[n+]2CC(=O)NO
InChIInChI=1S/C7H8N6O2/c8-6-5-7(10-2-9-6)13(3-11-5)1-4(14)12-15/h2-3H,1H2,(H4,8,9,10,12,14,15)/p+1
InChIKeyQYIRTKNAXXXGHS-UHFFFAOYSA-O
MW209.19 g/mol
LogP-1.67
Rot. Bonds2

About 2-(6-amino-7H-purin-9-ium-9-yl)-N-hydroxyacetamide

2-(6-amino-7H-purin-9-ium-9-yl)-N-hydroxyacetamide (PubChem CID 135442244) has the molecular formula C7H9N6O2+ and a molecular weight of 209.19 g/mol. Its IUPAC name is 2-(6-amino-7H-purin-9-ium-9-yl)-N-hydroxyacetamide.

Molecular Properties

Compound Name2-(6-amino-7H-purin-9-ium-9-yl)-N-hydroxyacetamide
PubChem CID135442244
Molecular FormulaC7H9N6O2+
Molecular Weight209.19 g/mol
Exact Mass209.08
IUPAC Name2-(6-amino-7H-purin-9-ium-9-yl)-N-hydroxyacetamide
SMILESNc1ncnc2c1[nH]c[n+]2CC(=O)NO
InChIInChI=1S/C7H8N6O2/c8-6-5-7(10-2-9-6)13(3-11-5)1-4(14)12-15/h2-3H,1H2,(H4,8,9,10,12,14,15)/p+1
InChIKeyQYIRTKNAXXXGHS-UHFFFAOYSA-O
XLogP-1.67
TPSA120.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 5-1.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(1S,2S,5S)-3-[(6-amino-7H-purin-9-ium-9-yl)methyl]-5-methoxycyclopent-3-ene-1,2-diol chloride
CID 135501642
2-amino-N-[(2R,4R,5R)-2-(6-amino-7H-purin-9-ium-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-2-phenylacetamide
CID 163811250
[(2R,3S,4R,5R)-5-(6-amino-7H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-(4-hydroxybenzoyl)sulfamate
CID 101417742
[5-(6-amino-7H-purin-9-ium-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
CID 5232275
[(2R,3S,4R,5R)-5-(6-amino-7H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-(2-hydroxybenzoyl)sulfamate
CID 122231973
3-(3-methylbut-2-enyl)-7H-purin-3-ium-6-amine chloride
CID 135502812
4,6-diamino-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid
CID 83878267
3-(fluoromethyl)-7H-purin-3-ium-6-amine
CID 90923326
3-(5-amino-1H-imidazol-3-ium-3-yl)-N-hydroxypropanamide
CID 135514104
N-[[(2R,3R,4R,5R)-5-(6-amino-7H-purin-9-ium-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methylsulfamoyl]-2-hydroxybenzamide
CID 122231985
5-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-hydroxypentanamide
CID 164622255
2-(methylamino)-3-sulfanylpropanoic acid;7H-purin-6-amine
CID 174836451

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-7H-purin-9-ium-9-yl)-N-hydroxyacetamide?
The IUPAC name of 2-(6-amino-7H-purin-9-ium-9-yl)-N-hydroxyacetamide (CID 135442244) is 2-(6-amino-7H-purin-9-ium-9-yl)-N-hydroxyacetamide.
What is the SMILES notation for 2-(6-amino-7H-purin-9-ium-9-yl)-N-hydroxyacetamide?
The canonical SMILES for 2-(6-amino-7H-purin-9-ium-9-yl)-N-hydroxyacetamide is Nc1ncnc2c1[nH]c[n+]2CC(=O)NO.
What is the InChIKey of 2-(6-amino-7H-purin-9-ium-9-yl)-N-hydroxyacetamide?
The InChIKey is QYIRTKNAXXXGHS-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H8N6O2/c8-6-5-7(10-2-9-6)13(3-11-5)1-4(14)12-15/h2-3H,1H2,(H4,8,9,10,12,14,15)/p+1.
What are the key properties of 2-(6-amino-7H-purin-9-ium-9-yl)-N-hydroxyacetamide?
2-(6-amino-7H-purin-9-ium-9-yl)-N-hydroxyacetamide has a molecular weight of 209.19 g/mol, XLogP of -1.67, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-7H-purin-9-ium-9-yl)-N-hydroxyacetamide is sourced from PubChem (CID 135442244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).