2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyacetamide

C7H9N7O2 — CID 127042766

IUPAC2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyacetamide
SMILESNc1nc(NCC(=O)NO)c2[nH]cnc2n1
InChIInChI=1S/C7H9N7O2/c8-7-12-5(9-1-3(15)14-16)4-6(13-7)11-2-10-4/h2,16H,1H2,(H,14,15)(H4,8,9,10,11,12,13)
InChIKeyFTUAOGSUFFEYEZ-UHFFFAOYSA-N
MW223.20 g/mol
LogP-1.15
Rot. Bonds3

About 2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyacetamide

2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyacetamide (PubChem CID 127042766) has the molecular formula C7H9N7O2 and a molecular weight of 223.20 g/mol. Its IUPAC name is 2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyacetamide
PubChem CID127042766
Molecular FormulaC7H9N7O2
Molecular Weight223.20 g/mol
Exact Mass223.08
IUPAC Name2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyacetamide
SMILESNc1nc(NCC(=O)NO)c2[nH]cnc2n1
InChIInChI=1S/C7H9N7O2/c8-7-12-5(9-1-3(15)14-16)4-6(13-7)11-2-10-4/h2,16H,1H2,(H,14,15)(H4,8,9,10,11,12,13)
InChIKeyFTUAOGSUFFEYEZ-UHFFFAOYSA-N
XLogP-1.15
TPSA141.84 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 5-1.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyacetamide?
The IUPAC name of 2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyacetamide (CID 127042766) is 2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyacetamide is Nc1nc(NCC(=O)NO)c2[nH]cnc2n1.
What is the InChIKey of 2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyacetamide?
The InChIKey is FTUAOGSUFFEYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7O2/c8-7-12-5(9-1-3(15)14-16)4-6(13-7)11-2-10-4/h2,16H,1H2,(H,14,15)(H4,8,9,10,11,12,13).
What are the key properties of 2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyacetamide?
2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyacetamide has a molecular weight of 223.20 g/mol, XLogP of -1.15, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyacetamide is sourced from PubChem (CID 127042766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).