8-bromo-9-methylpurin-6-amine

C6H6BrN5 — CID 822296

IUPAC8-bromo-9-methylpurin-6-amine
SMILESCn1c(Br)nc2c(N)ncnc21
InChIInChI=1S/C6H6BrN5/c1-12-5-3(11-6(12)7)4(8)9-2-10-5/h2H,1H3,(H2,8,9,10)
InChIKeyICJDGKILGBQWGF-UHFFFAOYSA-N
MW228.05 g/mol
LogP0.71
Rot. Bonds

About 8-bromo-9-methylpurin-6-amine

8-bromo-9-methylpurin-6-amine (PubChem CID 822296) has the molecular formula C6H6BrN5 and a molecular weight of 228.05 g/mol. Its IUPAC name is 8-bromo-9-methylpurin-6-amine.

Molecular Properties

Compound Name8-bromo-9-methylpurin-6-amine
PubChem CID822296
Molecular FormulaC6H6BrN5
Molecular Weight228.05 g/mol
Exact Mass226.98
IUPAC Name8-bromo-9-methylpurin-6-amine
SMILESCn1c(Br)nc2c(N)ncnc21
InChIInChI=1S/C6H6BrN5/c1-12-5-3(11-6(12)7)4(8)9-2-10-5/h2H,1H3,(H2,8,9,10)
InChIKeyICJDGKILGBQWGF-UHFFFAOYSA-N
XLogP0.71
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.05
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-bromo-9-propylpurin-6-amine
CID 11849871
8-bromo-9-butylpurin-6-amine
CID 11608719
8-bromo-9-pent-3-ynylpurin-6-amine
CID 143496322
4-(6-amino-8-bromopurin-9-yl)butyl acetate
CID 91623007
8-(4-methoxyphenyl)-9-methylpurin-6-amine
CID 69468314
9-[4,6-bis(6-aminopurin-9-yl)-1,3,5-triazin-2-yl]purin-6-amine
CID 102192385
ethane;9-methyl-8-(2-phenylethynyl)purin-6-amine
CID 91235697
2-[(6-amino-8-bromopurin-9-yl)methoxy]propane-1,3-diol
CID 71324086
4-[2-(6-amino-8-bromopurin-9-yl)ethoxy]benzonitrile
CID 170551577
9-(4-aminobutyl)-8-methylpurin-6-amine
CID 154682706
(2S,3R,4S,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 7166681
8-bromo-1,9-dimethylpurin-6-imine
CID 14704115

Frequently Asked Questions

What is the IUPAC name of 8-bromo-9-methylpurin-6-amine?
The IUPAC name of 8-bromo-9-methylpurin-6-amine (CID 822296) is 8-bromo-9-methylpurin-6-amine.
What is the SMILES notation for 8-bromo-9-methylpurin-6-amine?
The canonical SMILES for 8-bromo-9-methylpurin-6-amine is Cn1c(Br)nc2c(N)ncnc21.
What is the InChIKey of 8-bromo-9-methylpurin-6-amine?
The InChIKey is ICJDGKILGBQWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN5/c1-12-5-3(11-6(12)7)4(8)9-2-10-5/h2H,1H3,(H2,8,9,10).
What are the key properties of 8-bromo-9-methylpurin-6-amine?
8-bromo-9-methylpurin-6-amine has a molecular weight of 228.05 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-9-methylpurin-6-amine is sourced from PubChem (CID 822296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).