2-(6-aminopurin-9-yl)-N-(4-bromophenyl)acetamide

C13H11BrN6O — CID 62664724

IUPAC2-(6-aminopurin-9-yl)-N-(4-bromophenyl)acetamide
SMILESNc1ncnc2c1ncn2CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C13H11BrN6O/c14-8-1-3-9(4-2-8)19-10(21)5-20-7-18-11-12(15)16-6-17-13(11)20/h1-4,6-7H,5H2,(H,19,21)(H2,15,16,17)
InChIKeyMHOQHWPFWZPHPV-UHFFFAOYSA-N
MW347.18 g/mol
LogP1.81
Rot. Bonds3

About 2-(6-aminopurin-9-yl)-N-(4-bromophenyl)acetamide

2-(6-aminopurin-9-yl)-N-(4-bromophenyl)acetamide (PubChem CID 62664724) has the molecular formula C13H11BrN6O and a molecular weight of 347.18 g/mol. Its IUPAC name is 2-(6-aminopurin-9-yl)-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(6-aminopurin-9-yl)-N-(4-bromophenyl)acetamide
PubChem CID62664724
Molecular FormulaC13H11BrN6O
Molecular Weight347.18 g/mol
Exact Mass346.02
IUPAC Name2-(6-aminopurin-9-yl)-N-(4-bromophenyl)acetamide
SMILESNc1ncnc2c1ncn2CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C13H11BrN6O/c14-8-1-3-9(4-2-8)19-10(21)5-20-7-18-11-12(15)16-6-17-13(11)20/h1-4,6-7H,5H2,(H,19,21)(H2,15,16,17)
InChIKeyMHOQHWPFWZPHPV-UHFFFAOYSA-N
XLogP1.81
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(6-aminopurin-9-yl)acetyl]amino]ethylazanium
CID 4184659
1-(6-aminopurin-9-yl)propan-2-one
CID 14258026
ethyl 4-(6-aminopurin-9-yl)-3-oxobutanoate
CID 63899088
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
CID 66308143
4-[3-(6-aminopurin-9-yl)propanoylamino]-N-[4-[[4-[[4-[3-(6-aminopurin-9-yl)propanoylamino]benzoyl]amino]phenyl]iminomethyl]phenyl]benzamide
CID 167011162
2-[2-(6-aminopurin-9-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide
CID 102148000
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
4-(6-aminopurin-9-yl)-N-methylbutanamide
CID 63891255
4-[2-(6-aminopurin-9-yl)acetyl]benzonitrile
CID 62023309
2-(6-aminopurin-9-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 166197352
N-[2-(6-aminopurin-9-yl)ethyl]-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide
CID 146146001
1-[3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]-3-(4-bromophenyl)urea
CID 70678246

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopurin-9-yl)-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-(6-aminopurin-9-yl)-N-(4-bromophenyl)acetamide (CID 62664724) is 2-(6-aminopurin-9-yl)-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-(6-aminopurin-9-yl)-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-(6-aminopurin-9-yl)-N-(4-bromophenyl)acetamide is Nc1ncnc2c1ncn2CC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 2-(6-aminopurin-9-yl)-N-(4-bromophenyl)acetamide?
The InChIKey is MHOQHWPFWZPHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN6O/c14-8-1-3-9(4-2-8)19-10(21)5-20-7-18-11-12(15)16-6-17-13(11)20/h1-4,6-7H,5H2,(H,19,21)(H2,15,16,17).
What are the key properties of 2-(6-aminopurin-9-yl)-N-(4-bromophenyl)acetamide?
2-(6-aminopurin-9-yl)-N-(4-bromophenyl)acetamide has a molecular weight of 347.18 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopurin-9-yl)-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 62664724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).