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

C11H17N7O2 — CID 127027439

IUPAC6-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyhexanamide
SMILESNc1nc(NCCCCCC(=O)NO)c2[nH]cnc2n1
InChIInChI=1S/C11H17N7O2/c12-11-16-9(8-10(17-11)15-6-14-8)13-5-3-1-2-4-7(19)18-20/h6,20H,1-5H2,(H,18,19)(H4,12,13,14,15,16,17)
InChIKeyKXMSYOYRLWWHFL-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.41
Rot. Bonds7

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

6-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyhexanamide (PubChem CID 127027439) has the molecular formula C11H17N7O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyhexanamide
PubChem CID127027439
Molecular FormulaC11H17N7O2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name6-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyhexanamide
SMILESNc1nc(NCCCCCC(=O)NO)c2[nH]cnc2n1
InChIInChI=1S/C11H17N7O2/c12-11-16-9(8-10(17-11)15-6-14-8)13-5-3-1-2-4-7(19)18-20/h6,20H,1-5H2,(H,18,19)(H4,12,13,14,15,16,17)
InChIKeyKXMSYOYRLWWHFL-UHFFFAOYSA-N
XLogP0.41
TPSA141.84 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 6-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyhexanamide?
The IUPAC name of 6-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyhexanamide (CID 127027439) is 6-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyhexanamide?
The canonical SMILES for 6-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyhexanamide is Nc1nc(NCCCCCC(=O)NO)c2[nH]cnc2n1.
What is the InChIKey of 6-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyhexanamide?
The InChIKey is KXMSYOYRLWWHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O2/c12-11-16-9(8-10(17-11)15-6-14-8)13-5-3-1-2-4-7(19)18-20/h6,20H,1-5H2,(H,18,19)(H4,12,13,14,15,16,17).
What are the key properties of 6-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyhexanamide?
6-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyhexanamide has a molecular weight of 279.30 g/mol, XLogP of 0.41, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyhexanamide is sourced from PubChem (CID 127027439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).