4-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide

C9H13N7O2 — CID 127025054

IUPAC4-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide
SMILESNc1nc(NCCCC(=O)NO)c2[nH]cnc2n1
InChIInChI=1S/C9H13N7O2/c10-9-14-7(6-8(15-9)13-4-12-6)11-3-1-2-5(17)16-18/h4,18H,1-3H2,(H,16,17)(H4,10,11,12,13,14,15)
InChIKeyPBWVSDQOSXZDKP-UHFFFAOYSA-N
MW251.25 g/mol
LogP-0.37
Rot. Bonds5

About 4-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide

4-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide (PubChem CID 127025054) has the molecular formula C9H13N7O2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 4-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide.

Molecular Properties

Compound Name4-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide
PubChem CID127025054
Molecular FormulaC9H13N7O2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC Name4-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide
SMILESNc1nc(NCCCC(=O)NO)c2[nH]cnc2n1
InChIInChI=1S/C9H13N7O2/c10-9-14-7(6-8(15-9)13-4-12-6)11-3-1-2-5(17)16-18/h4,18H,1-3H2,(H,16,17)(H4,10,11,12,13,14,15)
InChIKeyPBWVSDQOSXZDKP-UHFFFAOYSA-N
XLogP-0.37
TPSA141.84 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 5-0.37
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

6-Hydroxyaminopurine
CID 21876
N6-Hydroxy-9H-purine-2,6-diamine
CID 101513
Adenine,N6-3-methoxypropyl
CID 2155044
2-(1H-Purin-6-ylamino)ethanol
CID 20684
N-(7H-purin-6-yl)acetamide
CID 748208
Adenine,N6-propyl
CID 2155040
N-hydroxy-7-[(2-morpholin-4-yl-7H-purin-6-yl)amino]heptanamide
CID 127025887
6-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyhexanamide
CID 127027439
6-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyhexanamide
CID 127027440
7-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyheptanamide
CID 127027441
6-[(9-butyl-2-chloropurin-6-yl)amino]-N-hydroxyhexanamide
CID 127027443
7-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyheptanamide
CID 127039213

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide?
The IUPAC name of 4-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide (CID 127025054) is 4-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide.
What is the SMILES notation for 4-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide?
The canonical SMILES for 4-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide is Nc1nc(NCCCC(=O)NO)c2[nH]cnc2n1.
What is the InChIKey of 4-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide?
The InChIKey is PBWVSDQOSXZDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O2/c10-9-14-7(6-8(15-9)13-4-12-6)11-3-1-2-5(17)16-18/h4,18H,1-3H2,(H,16,17)(H4,10,11,12,13,14,15).
What are the key properties of 4-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide?
4-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide has a molecular weight of 251.25 g/mol, XLogP of -0.37, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide is sourced from PubChem (CID 127025054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).