9-benzyl-6-(4-methoxyphenoxy)purine

C19H16N4O2 — CID 2028588

IUPAC9-benzyl-6-(4-methoxyphenoxy)purine
SMILESCOc1ccc(Oc2ncnc3c2ncn3Cc2ccccc2)cc1
InChIInChI=1S/C19H16N4O2/c1-24-15-7-9-16(10-8-15)25-19-17-18(20-12-21-19)23(13-22-17)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3
InChIKeyWVWLYDAMWNWZNC-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.68
Rot. Bonds5

About 9-benzyl-6-(4-methoxyphenoxy)purine

9-benzyl-6-(4-methoxyphenoxy)purine (PubChem CID 2028588) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 9-benzyl-6-(4-methoxyphenoxy)purine.

Molecular Properties

Compound Name9-benzyl-6-(4-methoxyphenoxy)purine
PubChem CID2028588
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name9-benzyl-6-(4-methoxyphenoxy)purine
SMILESCOc1ccc(Oc2ncnc3c2ncn3Cc2ccccc2)cc1
InChIInChI=1S/C19H16N4O2/c1-24-15-7-9-16(10-8-15)25-19-17-18(20-12-21-19)23(13-22-17)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3
InChIKeyWVWLYDAMWNWZNC-UHFFFAOYSA-N
XLogP3.68
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-6-(4-methoxyphenoxy)purine?
The IUPAC name of 9-benzyl-6-(4-methoxyphenoxy)purine (CID 2028588) is 9-benzyl-6-(4-methoxyphenoxy)purine.
What is the SMILES notation for 9-benzyl-6-(4-methoxyphenoxy)purine?
The canonical SMILES for 9-benzyl-6-(4-methoxyphenoxy)purine is COc1ccc(Oc2ncnc3c2ncn3Cc2ccccc2)cc1.
What is the InChIKey of 9-benzyl-6-(4-methoxyphenoxy)purine?
The InChIKey is WVWLYDAMWNWZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-24-15-7-9-16(10-8-15)25-19-17-18(20-12-21-19)23(13-22-17)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3.
What are the key properties of 9-benzyl-6-(4-methoxyphenoxy)purine?
9-benzyl-6-(4-methoxyphenoxy)purine has a molecular weight of 332.36 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-6-(4-methoxyphenoxy)purine is sourced from PubChem (CID 2028588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).