5-(6-aminopurin-9-yl)-N-hydroxypentanamide

C10H14N6O2 — CID 11776872

IUPAC5-(6-aminopurin-9-yl)-N-hydroxypentanamide
SMILESNc1ncnc2c1ncn2CCCCC(=O)NO
InChIInChI=1S/C10H14N6O2/c11-9-8-10(13-5-12-9)16(6-14-8)4-2-1-3-7(17)15-18/h5-6,18H,1-4H2,(H,15,17)(H2,11,12,13)
InChIKeyGRMSOSNYKBSHQO-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.08
Rot. Bonds5

About 5-(6-aminopurin-9-yl)-N-hydroxypentanamide

5-(6-aminopurin-9-yl)-N-hydroxypentanamide (PubChem CID 11776872) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-(6-aminopurin-9-yl)-N-hydroxypentanamide.

Molecular Properties

Compound Name5-(6-aminopurin-9-yl)-N-hydroxypentanamide
PubChem CID11776872
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name5-(6-aminopurin-9-yl)-N-hydroxypentanamide
SMILESNc1ncnc2c1ncn2CCCCC(=O)NO
InChIInChI=1S/C10H14N6O2/c11-9-8-10(13-5-12-9)16(6-14-8)4-2-1-3-7(17)15-18/h5-6,18H,1-4H2,(H,15,17)(H2,11,12,13)
InChIKeyGRMSOSNYKBSHQO-UHFFFAOYSA-N
XLogP0.08
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.08
H-Bond Donors ≤ 53
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 5-(6-aminopurin-9-yl)-N-hydroxypentanamide?
The IUPAC name of 5-(6-aminopurin-9-yl)-N-hydroxypentanamide (CID 11776872) is 5-(6-aminopurin-9-yl)-N-hydroxypentanamide.
What is the SMILES notation for 5-(6-aminopurin-9-yl)-N-hydroxypentanamide?
The canonical SMILES for 5-(6-aminopurin-9-yl)-N-hydroxypentanamide is Nc1ncnc2c1ncn2CCCCC(=O)NO.
What is the InChIKey of 5-(6-aminopurin-9-yl)-N-hydroxypentanamide?
The InChIKey is GRMSOSNYKBSHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c11-9-8-10(13-5-12-9)16(6-14-8)4-2-1-3-7(17)15-18/h5-6,18H,1-4H2,(H,15,17)(H2,11,12,13).
What are the key properties of 5-(6-aminopurin-9-yl)-N-hydroxypentanamide?
5-(6-aminopurin-9-yl)-N-hydroxypentanamide has a molecular weight of 250.26 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-aminopurin-9-yl)-N-hydroxypentanamide is sourced from PubChem (CID 11776872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).