9-methoxypurine

C6H6N4O — CID 56998918

IUPAC9-methoxypurine
SMILESCOn1cnc2cncnc21
InChIInChI=1S/C6H6N4O/c1-11-10-4-9-5-2-7-3-8-6(5)10/h2-4H,1H3
InChIKeySAXJNRGLVBCELX-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.12
Rot. Bonds1

About 9-methoxypurine

9-methoxypurine (PubChem CID 56998918) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 9-methoxypurine.

Molecular Properties

Compound Name9-methoxypurine
PubChem CID56998918
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name9-methoxypurine
SMILESCOn1cnc2cncnc21
InChIInChI=1S/C6H6N4O/c1-11-10-4-9-5-2-7-3-8-6(5)10/h2-4H,1H3
InChIKeySAXJNRGLVBCELX-UHFFFAOYSA-N
XLogP-0.12
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methoxypurine?
The IUPAC name of 9-methoxypurine (CID 56998918) is 9-methoxypurine.
What is the SMILES notation for 9-methoxypurine?
The canonical SMILES for 9-methoxypurine is COn1cnc2cncnc21.
What is the InChIKey of 9-methoxypurine?
The InChIKey is SAXJNRGLVBCELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-11-10-4-9-5-2-7-3-8-6(5)10/h2-4H,1H3.
What are the key properties of 9-methoxypurine?
9-methoxypurine has a molecular weight of 150.14 g/mol, XLogP of -0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxypurine is sourced from PubChem (CID 56998918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).