6-methoxy-9-methylpurine

C7H8N4O — CID 13032373

IUPAC6-methoxy-9-methylpurine
SMILESCOc1ncnc2c1ncn2C
InChIInChI=1S/C7H8N4O/c1-11-4-10-5-6(11)8-3-9-7(5)12-2/h3-4H,1-2H3
InChIKeyBJGMDJDZJGKXTG-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.37
Rot. Bonds1

About 6-methoxy-9-methylpurine

6-methoxy-9-methylpurine (PubChem CID 13032373) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 6-methoxy-9-methylpurine.

Molecular Properties

Compound Name6-methoxy-9-methylpurine
PubChem CID13032373
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name6-methoxy-9-methylpurine
SMILESCOc1ncnc2c1ncn2C
InChIInChI=1S/C7H8N4O/c1-11-4-10-5-6(11)8-3-9-7(5)12-2/h3-4H,1-2H3
InChIKeyBJGMDJDZJGKXTG-UHFFFAOYSA-N
XLogP0.37
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9-methylpurine?
The IUPAC name of 6-methoxy-9-methylpurine (CID 13032373) is 6-methoxy-9-methylpurine.
What is the SMILES notation for 6-methoxy-9-methylpurine?
The canonical SMILES for 6-methoxy-9-methylpurine is COc1ncnc2c1ncn2C.
What is the InChIKey of 6-methoxy-9-methylpurine?
The InChIKey is BJGMDJDZJGKXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-11-4-10-5-6(11)8-3-9-7(5)12-2/h3-4H,1-2H3.
What are the key properties of 6-methoxy-9-methylpurine?
6-methoxy-9-methylpurine has a molecular weight of 164.17 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9-methylpurine is sourced from PubChem (CID 13032373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).