9-(4-benzylphenoxy)-2-ethylpurine

C20H18N4O — CID 67649040

IUPAC9-(4-benzylphenoxy)-2-ethylpurine
SMILESCCc1ncc2ncn(Oc3ccc(Cc4ccccc4)cc3)c2n1
InChIInChI=1S/C20H18N4O/c1-2-19-21-13-18-20(23-19)24(14-22-18)25-17-10-8-16(9-11-17)12-15-6-4-3-5-7-15/h3-11,13-14H,2,12H2,1H3
InChIKeyPSJDRGATSVVNNM-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.82
Rot. Bonds5

About 9-(4-benzylphenoxy)-2-ethylpurine

9-(4-benzylphenoxy)-2-ethylpurine (PubChem CID 67649040) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 9-(4-benzylphenoxy)-2-ethylpurine.

Molecular Properties

Compound Name9-(4-benzylphenoxy)-2-ethylpurine
PubChem CID67649040
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name9-(4-benzylphenoxy)-2-ethylpurine
SMILESCCc1ncc2ncn(Oc3ccc(Cc4ccccc4)cc3)c2n1
InChIInChI=1S/C20H18N4O/c1-2-19-21-13-18-20(23-19)24(14-22-18)25-17-10-8-16(9-11-17)12-15-6-4-3-5-7-15/h3-11,13-14H,2,12H2,1H3
InChIKeyPSJDRGATSVVNNM-UHFFFAOYSA-N
XLogP3.82
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(4-benzylphenoxy)-2-ethylpurine?
The IUPAC name of 9-(4-benzylphenoxy)-2-ethylpurine (CID 67649040) is 9-(4-benzylphenoxy)-2-ethylpurine.
What is the SMILES notation for 9-(4-benzylphenoxy)-2-ethylpurine?
The canonical SMILES for 9-(4-benzylphenoxy)-2-ethylpurine is CCc1ncc2ncn(Oc3ccc(Cc4ccccc4)cc3)c2n1.
What is the InChIKey of 9-(4-benzylphenoxy)-2-ethylpurine?
The InChIKey is PSJDRGATSVVNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-2-19-21-13-18-20(23-19)24(14-22-18)25-17-10-8-16(9-11-17)12-15-6-4-3-5-7-15/h3-11,13-14H,2,12H2,1H3.
What are the key properties of 9-(4-benzylphenoxy)-2-ethylpurine?
9-(4-benzylphenoxy)-2-ethylpurine has a molecular weight of 330.39 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-benzylphenoxy)-2-ethylpurine is sourced from PubChem (CID 67649040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).