4-(6-aminopurin-9-yl)-N-hydroxybutanamide

C9H12N6O2 — CID 10014327

IUPAC4-(6-aminopurin-9-yl)-N-hydroxybutanamide
SMILESNc1ncnc2c1ncn2CCCC(=O)NO
InChIInChI=1S/C9H12N6O2/c10-8-7-9(12-4-11-8)15(5-13-7)3-1-2-6(16)14-17/h4-5,17H,1-3H2,(H,14,16)(H2,10,11,12)
InChIKeyFQHHMZUDETYNCA-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.31
Rot. Bonds4

About 4-(6-aminopurin-9-yl)-N-hydroxybutanamide

4-(6-aminopurin-9-yl)-N-hydroxybutanamide (PubChem CID 10014327) has the molecular formula C9H12N6O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 4-(6-aminopurin-9-yl)-N-hydroxybutanamide.

Molecular Properties

Compound Name4-(6-aminopurin-9-yl)-N-hydroxybutanamide
PubChem CID10014327
Molecular FormulaC9H12N6O2
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC Name4-(6-aminopurin-9-yl)-N-hydroxybutanamide
SMILESNc1ncnc2c1ncn2CCCC(=O)NO
InChIInChI=1S/C9H12N6O2/c10-8-7-9(12-4-11-8)15(5-13-7)3-1-2-6(16)14-17/h4-5,17H,1-3H2,(H,14,16)(H2,10,11,12)
InChIKeyFQHHMZUDETYNCA-UHFFFAOYSA-N
XLogP-0.31
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
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'}

Analyze 4-(6-aminopurin-9-yl)-N-hydroxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Amino-9H-purine-9-propanoic acid
CID 255450
9-Propyl-9h-purin-6-amine
CID 247436
9-Butyl-9H-purin-6-amine
CID 75929
(1R,3R)-3-(6-Amino-purin-9-yl)-cyclopentanecarboxylic acid hydroxyamide
CID 10912305
(1R,3R)-2-[3-(6-Amino-purin-9-yl)-cyclopentyl]-N-hydroxy-acetamide
CID 10934704
7-[[2-chloro-9-(2-methylpropyl)purin-6-yl]amino]-N-hydroxyheptanamide
CID 127026516
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
N-hydroxy-7-(7H-purin-6-ylamino)heptanamide
CID 127042095

Frequently Asked Questions

What is the IUPAC name of 4-(6-aminopurin-9-yl)-N-hydroxybutanamide?
The IUPAC name of 4-(6-aminopurin-9-yl)-N-hydroxybutanamide (CID 10014327) is 4-(6-aminopurin-9-yl)-N-hydroxybutanamide.
What is the SMILES notation for 4-(6-aminopurin-9-yl)-N-hydroxybutanamide?
The canonical SMILES for 4-(6-aminopurin-9-yl)-N-hydroxybutanamide is Nc1ncnc2c1ncn2CCCC(=O)NO.
What is the InChIKey of 4-(6-aminopurin-9-yl)-N-hydroxybutanamide?
The InChIKey is FQHHMZUDETYNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2/c10-8-7-9(12-4-11-8)15(5-13-7)3-1-2-6(16)14-17/h4-5,17H,1-3H2,(H,14,16)(H2,10,11,12).
What are the key properties of 4-(6-aminopurin-9-yl)-N-hydroxybutanamide?
4-(6-aminopurin-9-yl)-N-hydroxybutanamide has a molecular weight of 236.23 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminopurin-9-yl)-N-hydroxybutanamide is sourced from PubChem (CID 10014327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).