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

C8H11N7O2 — CID 127025053

IUPAC3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide
SMILESNc1nc(NCCC(=O)NO)c2[nH]cnc2n1
InChIInChI=1S/C8H11N7O2/c9-8-13-6(10-2-1-4(16)15-17)5-7(14-8)12-3-11-5/h3,17H,1-2H2,(H,15,16)(H4,9,10,11,12,13,14)
InChIKeyXXJRNOAAFFKEIX-UHFFFAOYSA-N
MW237.22 g/mol
LogP-0.76
Rot. Bonds4

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

3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide (PubChem CID 127025053) has the molecular formula C8H11N7O2 and a molecular weight of 237.22 g/mol. Its IUPAC name is 3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide
PubChem CID127025053
Molecular FormulaC8H11N7O2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC Name3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide
SMILESNc1nc(NCCC(=O)NO)c2[nH]cnc2n1
InChIInChI=1S/C8H11N7O2/c9-8-13-6(10-2-1-4(16)15-17)5-7(14-8)12-3-11-5/h3,17H,1-2H2,(H,15,16)(H4,9,10,11,12,13,14)
InChIKeyXXJRNOAAFFKEIX-UHFFFAOYSA-N
XLogP-0.76
TPSA141.84 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.76
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

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,N-dipropyl-9H-purin-6-amine
CID 756688
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 3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide?
The IUPAC name of 3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide (CID 127025053) is 3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide.
What is the SMILES notation for 3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide?
The canonical SMILES for 3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide is Nc1nc(NCCC(=O)NO)c2[nH]cnc2n1.
What is the InChIKey of 3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide?
The InChIKey is XXJRNOAAFFKEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7O2/c9-8-13-6(10-2-1-4(16)15-17)5-7(14-8)12-3-11-5/h3,17H,1-2H2,(H,15,16)(H4,9,10,11,12,13,14).
What are the key properties of 3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide?
3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide has a molecular weight of 237.22 g/mol, XLogP of -0.76, 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-hydroxypropanamide is sourced from PubChem (CID 127025053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).