4-amino-N-(7H-purin-6-yl)butanamide;hydrochloride

C9H13ClN6O — CID 67008573

IUPAC4-amino-N-(7H-purin-6-yl)butanamide;hydrochloride
SMILESCl.NCCCC(=O)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C9H12N6O.ClH/c10-3-1-2-6(16)15-9-7-8(12-4-11-7)13-5-14-9;/h4-5H,1-3,10H2,(H2,11,12,13,14,15,16);1H
InChIKeyGQJICNMTQFZFJY-UHFFFAOYSA-N
MW256.70 g/mol
LogP0.45
Rot. Bonds4

About 4-amino-N-(7H-purin-6-yl)butanamide;hydrochloride

4-amino-N-(7H-purin-6-yl)butanamide;hydrochloride (PubChem CID 67008573) has the molecular formula C9H13ClN6O and a molecular weight of 256.70 g/mol. Its IUPAC name is 4-amino-N-(7H-purin-6-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(7H-purin-6-yl)butanamide;hydrochloride
PubChem CID67008573
Molecular FormulaC9H13ClN6O
Molecular Weight256.70 g/mol
Exact Mass256.08
IUPAC Name4-amino-N-(7H-purin-6-yl)butanamide;hydrochloride
SMILESCl.NCCCC(=O)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C9H12N6O.ClH/c10-3-1-2-6(16)15-9-7-8(12-4-11-7)13-5-14-9;/h4-5H,1-3,10H2,(H2,11,12,13,14,15,16);1H
InChIKeyGQJICNMTQFZFJY-UHFFFAOYSA-N
XLogP0.45
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(ethylamino)-N-(7H-purin-6-yl)propanamide;dihydrochloride
CID 67008467
3-(2-phenylethylamino)-N-(7H-purin-6-yl)propanamide;dihydrochloride
CID 67008624
(4R)-4-(4-methylphenyl)-N-(7H-purin-6-yl)pentanamide
CID 7073143
tert-butyl N-methyl-N-[3-oxo-3-(7H-purin-6-ylamino)propyl]carbamate
CID 44600958
2-methyl-N-(7H-purin-6-yl)prop-2-enamide
CID 142419518
(2S)-2-chloro-N-(7H-purin-6-yl)propanamide
CID 41214843
(2E)-2-ethenyl-N-(7H-purin-6-yl)penta-2,4-dienamide
CID 145321450
1-hydroxy-1-pentyl-3-(7H-purin-6-yl)urea
CID 175389383
N-propyl-3-(7H-purin-6-ylamino)propanamide
CID 47299148
2,2-dimethyl-3-(7H-purin-6-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64837350
2,2-dimethyl-4-(7H-purin-6-ylamino)butanoic acid
CID 114285512
(2S)-2-(7H-purin-6-ylamino)hexanoic acid;hydrochloride
CID 167991552

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(7H-purin-6-yl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-(7H-purin-6-yl)butanamide;hydrochloride (CID 67008573) is 4-amino-N-(7H-purin-6-yl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(7H-purin-6-yl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(7H-purin-6-yl)butanamide;hydrochloride is Cl.NCCCC(=O)Nc1ncnc2nc[nH]c12.
What is the InChIKey of 4-amino-N-(7H-purin-6-yl)butanamide;hydrochloride?
The InChIKey is GQJICNMTQFZFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O.ClH/c10-3-1-2-6(16)15-9-7-8(12-4-11-7)13-5-14-9;/h4-5H,1-3,10H2,(H2,11,12,13,14,15,16);1H.
What are the key properties of 4-amino-N-(7H-purin-6-yl)butanamide;hydrochloride?
4-amino-N-(7H-purin-6-yl)butanamide;hydrochloride has a molecular weight of 256.70 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(7H-purin-6-yl)butanamide;hydrochloride is sourced from PubChem (CID 67008573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).