7-(4-methoxyphenyl)-6-methylpurine

C13H12N4O — CID 134553225

IUPAC7-(4-methoxyphenyl)-6-methylpurine
SMILESCOc1ccc(-n2cnc3ncnc(C)c32)cc1
InChIInChI=1S/C13H12N4O/c1-9-12-13(15-7-14-9)16-8-17(12)10-3-5-11(18-2)6-4-10/h3-8H,1-2H3
InChIKeyGOFMIIOUGXAECE-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.13
Rot. Bonds2

About 7-(4-methoxyphenyl)-6-methylpurine

7-(4-methoxyphenyl)-6-methylpurine (PubChem CID 134553225) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-6-methylpurine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-6-methylpurine
PubChem CID134553225
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name7-(4-methoxyphenyl)-6-methylpurine
SMILESCOc1ccc(-n2cnc3ncnc(C)c32)cc1
InChIInChI=1S/C13H12N4O/c1-9-12-13(15-7-14-9)16-8-17(12)10-3-5-11(18-2)6-4-10/h3-8H,1-2H3
InChIKeyGOFMIIOUGXAECE-UHFFFAOYSA-N
XLogP2.13
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-6-methylpurine?
The IUPAC name of 7-(4-methoxyphenyl)-6-methylpurine (CID 134553225) is 7-(4-methoxyphenyl)-6-methylpurine.
What is the SMILES notation for 7-(4-methoxyphenyl)-6-methylpurine?
The canonical SMILES for 7-(4-methoxyphenyl)-6-methylpurine is COc1ccc(-n2cnc3ncnc(C)c32)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-6-methylpurine?
The InChIKey is GOFMIIOUGXAECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-9-12-13(15-7-14-9)16-8-17(12)10-3-5-11(18-2)6-4-10/h3-8H,1-2H3.
What are the key properties of 7-(4-methoxyphenyl)-6-methylpurine?
7-(4-methoxyphenyl)-6-methylpurine has a molecular weight of 240.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-6-methylpurine is sourced from PubChem (CID 134553225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).