9-benzyl-2,6-dimethoxypurine

C14H14N4O2 — CID 141432217

IUPAC9-benzyl-2,6-dimethoxypurine
SMILESCOc1nc(OC)c2ncn(Cc3ccccc3)c2n1
InChIInChI=1S/C14H14N4O2/c1-19-13-11-12(16-14(17-13)20-2)18(9-15-11)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyFNVWYTWSWHXRFI-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.89
Rot. Bonds4

About 9-benzyl-2,6-dimethoxypurine

9-benzyl-2,6-dimethoxypurine (PubChem CID 141432217) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 9-benzyl-2,6-dimethoxypurine.

Molecular Properties

Compound Name9-benzyl-2,6-dimethoxypurine
PubChem CID141432217
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name9-benzyl-2,6-dimethoxypurine
SMILESCOc1nc(OC)c2ncn(Cc3ccccc3)c2n1
InChIInChI=1S/C14H14N4O2/c1-19-13-11-12(16-14(17-13)20-2)18(9-15-11)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyFNVWYTWSWHXRFI-UHFFFAOYSA-N
XLogP1.89
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-2,6-dimethoxypurine?
The IUPAC name of 9-benzyl-2,6-dimethoxypurine (CID 141432217) is 9-benzyl-2,6-dimethoxypurine.
What is the SMILES notation for 9-benzyl-2,6-dimethoxypurine?
The canonical SMILES for 9-benzyl-2,6-dimethoxypurine is COc1nc(OC)c2ncn(Cc3ccccc3)c2n1.
What is the InChIKey of 9-benzyl-2,6-dimethoxypurine?
The InChIKey is FNVWYTWSWHXRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-19-13-11-12(16-14(17-13)20-2)18(9-15-11)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 9-benzyl-2,6-dimethoxypurine?
9-benzyl-2,6-dimethoxypurine has a molecular weight of 270.29 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-2,6-dimethoxypurine is sourced from PubChem (CID 141432217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).