8-bromo-1,9-dimethylpurin-6-imine

C7H8BrN5 — CID 14704115

IUPAC8-bromo-1,9-dimethylpurin-6-imine
SMILES[H]/N=c1/c2nc(Br)n(C)c2ncn1C
InChIInChI=1S/C7H8BrN5/c1-12-3-10-6-4(5(12)9)11-7(8)13(6)2/h3,9H,1-2H3/b9-5-
InChIKeyLWAZAIJSRDRETJ-UITAMQMPSA-N
MW242.08 g/mol
LogP0.55
Rot. Bonds

About 8-bromo-1,9-dimethylpurin-6-imine

8-bromo-1,9-dimethylpurin-6-imine (PubChem CID 14704115) has the molecular formula C7H8BrN5 and a molecular weight of 242.08 g/mol. Its IUPAC name is 8-bromo-1,9-dimethylpurin-6-imine.

Molecular Properties

Compound Name8-bromo-1,9-dimethylpurin-6-imine
PubChem CID14704115
Molecular FormulaC7H8BrN5
Molecular Weight242.08 g/mol
Exact Mass241.00
IUPAC Name8-bromo-1,9-dimethylpurin-6-imine
SMILES[H]/N=c1/c2nc(Br)n(C)c2ncn1C
InChIInChI=1S/C7H8BrN5/c1-12-3-10-6-4(5(12)9)11-7(8)13(6)2/h3,9H,1-2H3/b9-5-
InChIKeyLWAZAIJSRDRETJ-UITAMQMPSA-N
XLogP0.55
TPSA59.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1,9-dimethylpurin-6-imine?
The IUPAC name of 8-bromo-1,9-dimethylpurin-6-imine (CID 14704115) is 8-bromo-1,9-dimethylpurin-6-imine.
What is the SMILES notation for 8-bromo-1,9-dimethylpurin-6-imine?
The canonical SMILES for 8-bromo-1,9-dimethylpurin-6-imine is [H]/N=c1/c2nc(Br)n(C)c2ncn1C.
What is the InChIKey of 8-bromo-1,9-dimethylpurin-6-imine?
The InChIKey is LWAZAIJSRDRETJ-UITAMQMPSA-N. The full InChI is InChI=1S/C7H8BrN5/c1-12-3-10-6-4(5(12)9)11-7(8)13(6)2/h3,9H,1-2H3/b9-5-.
What are the key properties of 8-bromo-1,9-dimethylpurin-6-imine?
8-bromo-1,9-dimethylpurin-6-imine has a molecular weight of 242.08 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1,9-dimethylpurin-6-imine is sourced from PubChem (CID 14704115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).