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

C8H11N7O2 — CID 141417768

IUPAC2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide
SMILESCC(Nc1nc(N)nc2nc[nH]c12)C(=O)NO
InChIInChI=1S/C8H11N7O2/c1-3(7(16)15-17)12-6-4-5(11-2-10-4)13-8(9)14-6/h2-3,17H,1H3,(H,15,16)(H4,9,10,11,12,13,14)
InChIKeyVVYNFBSTLATYBK-UHFFFAOYSA-N
MW237.22 g/mol
LogP-0.76
Rot. Bonds3

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

2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide (PubChem CID 141417768) has the molecular formula C8H11N7O2 and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide
PubChem CID141417768
Molecular FormulaC8H11N7O2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC Name2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide
SMILESCC(Nc1nc(N)nc2nc[nH]c12)C(=O)NO
InChIInChI=1S/C8H11N7O2/c1-3(7(16)15-17)12-6-4-5(11-2-10-4)13-8(9)14-6/h2-3,17H,1H3,(H,15,16)(H4,9,10,11,12,13,14)
InChIKeyVVYNFBSTLATYBK-UHFFFAOYSA-N
XLogP-0.76
TPSA141.84 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
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

3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide
CID 141417771
2-[(2-chloro-7H-purin-6-yl)amino]-N-methylpropanamide
CID 104697583
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
6-N-[1-(furan-2-yl)ethyl]-7H-purine-2,6-diamine
CID 104623197
(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-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine
CID 115669349
6-N-(3,4-dimethylheptan-2-yl)-7H-purine-2,6-diamine
CID 123369608
6-N-fluoro-7H-purine-2,6-diamine
CID 143836083
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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide?
The IUPAC name of 2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide (CID 141417768) is 2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide?
The canonical SMILES for 2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide is CC(Nc1nc(N)nc2nc[nH]c12)C(=O)NO.
What is the InChIKey of 2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide?
The InChIKey is VVYNFBSTLATYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7O2/c1-3(7(16)15-17)12-6-4-5(11-2-10-4)13-8(9)14-6/h2-3,17H,1H3,(H,15,16)(H4,9,10,11,12,13,14).
What are the key properties of 2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide?
2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide has a molecular weight of 237.22 g/mol, XLogP of -0.76, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide is sourced from PubChem (CID 141417768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).