3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide

C9H13N7O2 — CID 141417771

IUPAC3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide
SMILESCC(CC(=O)NO)Nc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C9H13N7O2/c1-4(2-5(17)16-18)13-8-6-7(12-3-11-6)14-9(10)15-8/h3-4,18H,2H2,1H3,(H,16,17)(H4,10,11,12,13,14,15)
InChIKeyPUKGYCUTRVDKQR-UHFFFAOYSA-N
MW251.25 g/mol
LogP-0.37
Rot. Bonds4

About 3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide

3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide (PubChem CID 141417771) has the molecular formula C9H13N7O2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide.

Molecular Properties

Compound Name3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide
PubChem CID141417771
Molecular FormulaC9H13N7O2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC Name3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide
SMILESCC(CC(=O)NO)Nc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C9H13N7O2/c1-4(2-5(17)16-18)13-8-6-7(12-3-11-6)14-9(10)15-8/h3-4,18H,2H2,1H3,(H,16,17)(H4,10,11,12,13,14,15)
InChIKeyPUKGYCUTRVDKQR-UHFFFAOYSA-N
XLogP-0.37
TPSA141.84 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
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': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide
CID 141417768
5-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypentanamide
CID 127025055
6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
CID 67950737
6-N-[(3S)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
CID 67950738
(2S)-2-[(2-amino-7H-purin-6-yl)amino]-4-methylsulfanylbutanoic acid
CID 71826393
2-[(2-amino-7H-purin-6-yl)amino]acetamide
CID 114783660
6-N-(3,4-dimethylheptan-2-yl)-7H-purine-2,6-diamine
CID 123369608
6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine
CID 104623745
5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
CID 107269141
3-[(2-amino-7H-purin-6-yl)amino]-N-tert-butylpropanamide
CID 104623604
3-[(2-amino-7H-purin-6-yl)amino]propanamide
CID 114783932
6-N-[1-(furan-2-yl)ethyl]-7H-purine-2,6-diamine
CID 104623197

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide?
The IUPAC name of 3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide (CID 141417771) is 3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide.
What is the SMILES notation for 3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide?
The canonical SMILES for 3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide is CC(CC(=O)NO)Nc1nc(N)nc2nc[nH]c12.
What is the InChIKey of 3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide?
The InChIKey is PUKGYCUTRVDKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O2/c1-4(2-5(17)16-18)13-8-6-7(12-3-11-6)14-9(10)15-8/h3-4,18H,2H2,1H3,(H,16,17)(H4,10,11,12,13,14,15).
What are the key properties of 3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide?
3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide has a molecular weight of 251.25 g/mol, XLogP of -0.37, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide is sourced from PubChem (CID 141417771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).