2-bromo-6-(7H-purin-8-yl)aniline

C11H8BrN5 — CID 114401929

IUPAC2-bromo-6-(7H-purin-8-yl)aniline
SMILESNc1c(Br)cccc1-c1nc2ncncc2[nH]1
InChIInChI=1S/C11H8BrN5/c12-7-3-1-2-6(9(7)13)10-16-8-4-14-5-15-11(8)17-10/h1-5H,13H2,(H,14,15,16,17)
InChIKeyIIYZMCKASAMDGO-UHFFFAOYSA-N
MW290.12 g/mol
LogP2.36
Rot. Bonds1

About 2-bromo-6-(7H-purin-8-yl)aniline

2-bromo-6-(7H-purin-8-yl)aniline (PubChem CID 114401929) has the molecular formula C11H8BrN5 and a molecular weight of 290.12 g/mol. Its IUPAC name is 2-bromo-6-(7H-purin-8-yl)aniline.

Molecular Properties

Compound Name2-bromo-6-(7H-purin-8-yl)aniline
PubChem CID114401929
Molecular FormulaC11H8BrN5
Molecular Weight290.12 g/mol
Exact Mass289.00
IUPAC Name2-bromo-6-(7H-purin-8-yl)aniline
SMILESNc1c(Br)cccc1-c1nc2ncncc2[nH]1
InChIInChI=1S/C11H8BrN5/c12-7-3-1-2-6(9(7)13)10-16-8-4-14-5-15-11(8)17-10/h1-5H,13H2,(H,14,15,16,17)
InChIKeyIIYZMCKASAMDGO-UHFFFAOYSA-N
XLogP2.36
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-(2-bromo-6-fluorophenyl)-7H-purine
CID 114560138
8-(2-tert-butylphenyl)-7H-purine
CID 114402739
6-(7H-purin-8-yl)pyridin-2-amine
CID 114402104
5-(7H-purin-8-yl)quinoxaline
CID 114402530
2,6-dichloro-4-(7H-purin-8-yl)aniline
CID 114402139
2-methoxy-6-(7H-purin-8-yl)phenol
CID 137000895
(9R)-4-(7H-purin-8-yl)-9H-fluorene-9-carboxamide
CID 67360207
N-methyl-2-[2-(7H-purin-8-yl)phenyl]ethanamine
CID 114401895
2-bromo-6-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 63112795
2-(3-bromo-2-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine
CID 79795555
4-(7H-purin-8-yl)pyridin-2-amine
CID 114402124
8-(3-bromo-2-chlorophenyl)-7H-purin-6-amine
CID 114608330

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(7H-purin-8-yl)aniline?
The IUPAC name of 2-bromo-6-(7H-purin-8-yl)aniline (CID 114401929) is 2-bromo-6-(7H-purin-8-yl)aniline.
What is the SMILES notation for 2-bromo-6-(7H-purin-8-yl)aniline?
The canonical SMILES for 2-bromo-6-(7H-purin-8-yl)aniline is Nc1c(Br)cccc1-c1nc2ncncc2[nH]1.
What is the InChIKey of 2-bromo-6-(7H-purin-8-yl)aniline?
The InChIKey is IIYZMCKASAMDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5/c12-7-3-1-2-6(9(7)13)10-16-8-4-14-5-15-11(8)17-10/h1-5H,13H2,(H,14,15,16,17).
What are the key properties of 2-bromo-6-(7H-purin-8-yl)aniline?
2-bromo-6-(7H-purin-8-yl)aniline has a molecular weight of 290.12 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(7H-purin-8-yl)aniline is sourced from PubChem (CID 114401929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).