8-(2-bromofuran-3-yl)-7H-purin-6-amine

C9H6BrN5O — CID 106854955

IUPAC8-(2-bromofuran-3-yl)-7H-purin-6-amine
SMILESNc1ncnc2nc(-c3ccoc3Br)[nH]c12
InChIInChI=1S/C9H6BrN5O/c10-6-4(1-2-16-6)8-14-5-7(11)12-3-13-9(5)15-8/h1-3H,(H3,11,12,13,14,15)
InChIKeyQDQKCZRMKJKOQF-UHFFFAOYSA-N
MW280.08 g/mol
LogP1.96
Rot. Bonds1

About 8-(2-bromofuran-3-yl)-7H-purin-6-amine

8-(2-bromofuran-3-yl)-7H-purin-6-amine (PubChem CID 106854955) has the molecular formula C9H6BrN5O and a molecular weight of 280.08 g/mol. Its IUPAC name is 8-(2-bromofuran-3-yl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(2-bromofuran-3-yl)-7H-purin-6-amine
PubChem CID106854955
Molecular FormulaC9H6BrN5O
Molecular Weight280.08 g/mol
Exact Mass278.98
IUPAC Name8-(2-bromofuran-3-yl)-7H-purin-6-amine
SMILESNc1ncnc2nc(-c3ccoc3Br)[nH]c12
InChIInChI=1S/C9H6BrN5O/c10-6-4(1-2-16-6)8-14-5-7(11)12-3-13-9(5)15-8/h1-3H,(H3,11,12,13,14,15)
InChIKeyQDQKCZRMKJKOQF-UHFFFAOYSA-N
XLogP1.96
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.08
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-amino-7H-purin-8-yl)-5-bromophenol
CID 137003589
8-(3-bromo-2-chlorophenyl)-7H-purin-6-amine
CID 114608330
8-quinolin-4-yl-7H-purin-6-amine
CID 114608196
8-[2-bromo-5-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 114608257
8-(5-amino-2-chlorophenyl)-7H-purin-6-amine
CID 114607833
8-(2-amino-5-chlorophenyl)-7H-purin-6-amine
CID 114607883
8-(2-ethylphenyl)-7H-purin-6-amine
CID 114608258
8-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 114608201
8-quinolin-8-yl-7H-purin-6-amine
CID 114608195
8-(4-methyl-1,3-oxazol-5-yl)-7H-purin-6-amine
CID 114608408
8-(5-chlorofuran-2-yl)-7H-purin-6-amine
CID 106688338
8-(3-methylthiophen-2-yl)-7H-purin-6-amine
CID 114608303

Frequently Asked Questions

What is the IUPAC name of 8-(2-bromofuran-3-yl)-7H-purin-6-amine?
The IUPAC name of 8-(2-bromofuran-3-yl)-7H-purin-6-amine (CID 106854955) is 8-(2-bromofuran-3-yl)-7H-purin-6-amine.
What is the SMILES notation for 8-(2-bromofuran-3-yl)-7H-purin-6-amine?
The canonical SMILES for 8-(2-bromofuran-3-yl)-7H-purin-6-amine is Nc1ncnc2nc(-c3ccoc3Br)[nH]c12.
What is the InChIKey of 8-(2-bromofuran-3-yl)-7H-purin-6-amine?
The InChIKey is QDQKCZRMKJKOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN5O/c10-6-4(1-2-16-6)8-14-5-7(11)12-3-13-9(5)15-8/h1-3H,(H3,11,12,13,14,15).
What are the key properties of 8-(2-bromofuran-3-yl)-7H-purin-6-amine?
8-(2-bromofuran-3-yl)-7H-purin-6-amine has a molecular weight of 280.08 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-bromofuran-3-yl)-7H-purin-6-amine is sourced from PubChem (CID 106854955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).