5-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypentanamide

C10H15N7O2 — CID 127025055

IUPAC5-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypentanamide
SMILESNc1nc(NCCCCC(=O)NO)c2[nH]cnc2n1
InChIInChI=1S/C10H15N7O2/c11-10-15-8(7-9(16-10)14-5-13-7)12-4-2-1-3-6(18)17-19/h5,19H,1-4H2,(H,17,18)(H4,11,12,13,14,15,16)
InChIKeyLRYSHZIVZJMSFX-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.02
Rot. Bonds6

About 5-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypentanamide

5-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypentanamide (PubChem CID 127025055) has the molecular formula C10H15N7O2 and a molecular weight of 265.28 g/mol. Its IUPAC name is 5-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypentanamide.

Molecular Properties

Compound Name5-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypentanamide
PubChem CID127025055
Molecular FormulaC10H15N7O2
Molecular Weight265.28 g/mol
Exact Mass265.13
IUPAC Name5-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypentanamide
SMILESNc1nc(NCCCCC(=O)NO)c2[nH]cnc2n1
InChIInChI=1S/C10H15N7O2/c11-10-15-8(7-9(16-10)14-5-13-7)12-4-2-1-3-6(18)17-19/h5,19H,1-4H2,(H,17,18)(H4,11,12,13,14,15,16)
InChIKeyLRYSHZIVZJMSFX-UHFFFAOYSA-N
XLogP0.02
TPSA141.84 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.02
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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Related Compounds

3-[(2-amino-7H-purin-6-yl)amino]propanamide
CID 114783932
3-[(2-amino-7H-purin-6-yl)amino]-N-tert-butylpropanamide
CID 104623604
5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
CID 107269141
2-[(2-amino-7H-purin-6-yl)amino]acetamide
CID 114783660
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 115669328
3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium
CID 140616341
3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide
CID 141417771
6-N-(3-cyclopentylpropyl)-7H-purine-2,6-diamine
CID 104623232
4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol
CID 104623404
6-N-(2-prop-2-enylsulfanylethyl)-7H-purine-2,6-diamine
CID 104623515
2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide
CID 141417768

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypentanamide?
The IUPAC name of 5-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypentanamide (CID 127025055) is 5-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypentanamide.
What is the SMILES notation for 5-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypentanamide?
The canonical SMILES for 5-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypentanamide is Nc1nc(NCCCCC(=O)NO)c2[nH]cnc2n1.
What is the InChIKey of 5-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypentanamide?
The InChIKey is LRYSHZIVZJMSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O2/c11-10-15-8(7-9(16-10)14-5-13-7)12-4-2-1-3-6(18)17-19/h5,19H,1-4H2,(H,17,18)(H4,11,12,13,14,15,16).
What are the key properties of 5-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypentanamide?
5-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypentanamide has a molecular weight of 265.28 g/mol, XLogP of 0.02, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypentanamide is sourced from PubChem (CID 127025055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).