2-bromo-6-methylpurin-9-amine

C6H6BrN5 — CID 96602183

IUPAC2-bromo-6-methylpurin-9-amine
SMILESCc1nc(Br)nc2c1ncn2N
InChIInChI=1S/C6H6BrN5/c1-3-4-5(11-6(7)10-3)12(8)2-9-4/h2H,8H2,1H3
InChIKeyZBXWICXDPCICKP-UHFFFAOYSA-N
MW228.05 g/mol
LogP0.61
Rot. Bonds

About 2-bromo-6-methylpurin-9-amine

2-bromo-6-methylpurin-9-amine (PubChem CID 96602183) has the molecular formula C6H6BrN5 and a molecular weight of 228.05 g/mol. Its IUPAC name is 2-bromo-6-methylpurin-9-amine.

Molecular Properties

Compound Name2-bromo-6-methylpurin-9-amine
PubChem CID96602183
Molecular FormulaC6H6BrN5
Molecular Weight228.05 g/mol
Exact Mass226.98
IUPAC Name2-bromo-6-methylpurin-9-amine
SMILESCc1nc(Br)nc2c1ncn2N
InChIInChI=1S/C6H6BrN5/c1-3-4-5(11-6(7)10-3)12(8)2-9-4/h2H,8H2,1H3
InChIKeyZBXWICXDPCICKP-UHFFFAOYSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methylpurin-9-amine?
The IUPAC name of 2-bromo-6-methylpurin-9-amine (CID 96602183) is 2-bromo-6-methylpurin-9-amine.
What is the SMILES notation for 2-bromo-6-methylpurin-9-amine?
The canonical SMILES for 2-bromo-6-methylpurin-9-amine is Cc1nc(Br)nc2c1ncn2N.
What is the InChIKey of 2-bromo-6-methylpurin-9-amine?
The InChIKey is ZBXWICXDPCICKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN5/c1-3-4-5(11-6(7)10-3)12(8)2-9-4/h2H,8H2,1H3.
What are the key properties of 2-bromo-6-methylpurin-9-amine?
2-bromo-6-methylpurin-9-amine has a molecular weight of 228.05 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methylpurin-9-amine is sourced from PubChem (CID 96602183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).