9-[(4-methoxyphenyl)methyl]-2,6-dimethylpurine

C15H16N4O — CID 71171876

IUPAC9-[(4-methoxyphenyl)methyl]-2,6-dimethylpurine
SMILESCOc1ccc(Cn2cnc3c(C)nc(C)nc32)cc1
InChIInChI=1S/C15H16N4O/c1-10-14-15(18-11(2)17-10)19(9-16-14)8-12-4-6-13(20-3)7-5-12/h4-7,9H,8H2,1-3H3
InChIKeyIAAXGKVQVYPYAI-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.50
Rot. Bonds3

About 9-[(4-methoxyphenyl)methyl]-2,6-dimethylpurine

9-[(4-methoxyphenyl)methyl]-2,6-dimethylpurine (PubChem CID 71171876) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 9-[(4-methoxyphenyl)methyl]-2,6-dimethylpurine.

Molecular Properties

Compound Name9-[(4-methoxyphenyl)methyl]-2,6-dimethylpurine
PubChem CID71171876
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name9-[(4-methoxyphenyl)methyl]-2,6-dimethylpurine
SMILESCOc1ccc(Cn2cnc3c(C)nc(C)nc32)cc1
InChIInChI=1S/C15H16N4O/c1-10-14-15(18-11(2)17-10)19(9-16-14)8-12-4-6-13(20-3)7-5-12/h4-7,9H,8H2,1-3H3
InChIKeyIAAXGKVQVYPYAI-UHFFFAOYSA-N
XLogP2.50
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-methoxyphenyl)methyl]-2,6-dimethylpurine?
The IUPAC name of 9-[(4-methoxyphenyl)methyl]-2,6-dimethylpurine (CID 71171876) is 9-[(4-methoxyphenyl)methyl]-2,6-dimethylpurine.
What is the SMILES notation for 9-[(4-methoxyphenyl)methyl]-2,6-dimethylpurine?
The canonical SMILES for 9-[(4-methoxyphenyl)methyl]-2,6-dimethylpurine is COc1ccc(Cn2cnc3c(C)nc(C)nc32)cc1.
What is the InChIKey of 9-[(4-methoxyphenyl)methyl]-2,6-dimethylpurine?
The InChIKey is IAAXGKVQVYPYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-14-15(18-11(2)17-10)19(9-16-14)8-12-4-6-13(20-3)7-5-12/h4-7,9H,8H2,1-3H3.
What are the key properties of 9-[(4-methoxyphenyl)methyl]-2,6-dimethylpurine?
9-[(4-methoxyphenyl)methyl]-2,6-dimethylpurine has a molecular weight of 268.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-methoxyphenyl)methyl]-2,6-dimethylpurine is sourced from PubChem (CID 71171876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).