9-(2,6-dibromophenyl)-6-methoxypurin-8-amine

C12H9Br2N5O — CID 107601316

IUPAC9-(2,6-dibromophenyl)-6-methoxypurin-8-amine
SMILESCOc1ncnc2c1nc(N)n2-c1c(Br)cccc1Br
InChIInChI=1S/C12H9Br2N5O/c1-20-11-8-10(16-5-17-11)19(12(15)18-8)9-6(13)3-2-4-7(9)14/h2-5H,1H3,(H2,15,18)
InChIKeyINSTZYSCUMBNJM-UHFFFAOYSA-N
MW399.05 g/mol
LogP2.93
Rot. Bonds2

About 9-(2,6-dibromophenyl)-6-methoxypurin-8-amine

9-(2,6-dibromophenyl)-6-methoxypurin-8-amine (PubChem CID 107601316) has the molecular formula C12H9Br2N5O and a molecular weight of 399.05 g/mol. Its IUPAC name is 9-(2,6-dibromophenyl)-6-methoxypurin-8-amine.

Molecular Properties

Compound Name9-(2,6-dibromophenyl)-6-methoxypurin-8-amine
PubChem CID107601316
Molecular FormulaC12H9Br2N5O
Molecular Weight399.05 g/mol
Exact Mass396.92
IUPAC Name9-(2,6-dibromophenyl)-6-methoxypurin-8-amine
SMILESCOc1ncnc2c1nc(N)n2-c1c(Br)cccc1Br
InChIInChI=1S/C12H9Br2N5O/c1-20-11-8-10(16-5-17-11)19(12(15)18-8)9-6(13)3-2-4-7(9)14/h2-5H,1H3,(H2,15,18)
InChIKeyINSTZYSCUMBNJM-UHFFFAOYSA-N
XLogP2.93
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.05
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-[2-(dimethylamino)phenyl]-6-methoxypurin-8-amine
CID 106760245
6-methoxy-9-(2-methylsulfanylphenyl)purin-8-amine
CID 107645395
4-(8-amino-6-methoxypurin-9-yl)-3-chlorobenzonitrile
CID 107809098
9-(3-chloro-5-fluorophenyl)-6-methoxypurin-8-amine
CID 107368239
9-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypurin-8-amine
CID 106036150
6-methoxy-9-octylpurin-8-amine
CID 115569133
1-(2,6-dibromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 107601345
6-methoxy-9-(2-thiomorpholin-4-ylethyl)purin-8-amine
CID 106326325
1-(3-bromo-2-methylphenyl)-4-methoxybenzimidazol-2-amine
CID 107637238
9-(3-bromo-2-methylphenyl)-6-methoxy-7H-purine-8-thione
CID 107636767
6-methoxy-9-(7-oxabicyclo[2.2.1]heptan-2-yl)purin-8-amine
CID 80721385
8-bromo-2-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridin-3-amine
CID 103348511

Frequently Asked Questions

What is the IUPAC name of 9-(2,6-dibromophenyl)-6-methoxypurin-8-amine?
The IUPAC name of 9-(2,6-dibromophenyl)-6-methoxypurin-8-amine (CID 107601316) is 9-(2,6-dibromophenyl)-6-methoxypurin-8-amine.
What is the SMILES notation for 9-(2,6-dibromophenyl)-6-methoxypurin-8-amine?
The canonical SMILES for 9-(2,6-dibromophenyl)-6-methoxypurin-8-amine is COc1ncnc2c1nc(N)n2-c1c(Br)cccc1Br.
What is the InChIKey of 9-(2,6-dibromophenyl)-6-methoxypurin-8-amine?
The InChIKey is INSTZYSCUMBNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2N5O/c1-20-11-8-10(16-5-17-11)19(12(15)18-8)9-6(13)3-2-4-7(9)14/h2-5H,1H3,(H2,15,18).
What are the key properties of 9-(2,6-dibromophenyl)-6-methoxypurin-8-amine?
9-(2,6-dibromophenyl)-6-methoxypurin-8-amine has a molecular weight of 399.05 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-dibromophenyl)-6-methoxypurin-8-amine is sourced from PubChem (CID 107601316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).