9-benzyl-6-(1,3-dihydro-2-benzofuran-5-yl)purine

C20H16N4O — CID 71365474

IUPAC9-benzyl-6-(1,3-dihydro-2-benzofuran-5-yl)purine
SMILESc1ccc(Cn2cnc3c(-c4ccc5c(c4)COC5)ncnc32)cc1
InChIInChI=1S/C20H16N4O/c1-2-4-14(5-3-1)9-24-13-23-19-18(21-12-22-20(19)24)15-6-7-16-10-25-11-17(16)8-15/h1-8,12-13H,9-11H2
InChIKeyWJMFFSKANOMTSQ-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.57
Rot. Bonds3

About 9-benzyl-6-(1,3-dihydro-2-benzofuran-5-yl)purine

9-benzyl-6-(1,3-dihydro-2-benzofuran-5-yl)purine (PubChem CID 71365474) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 9-benzyl-6-(1,3-dihydro-2-benzofuran-5-yl)purine.

Molecular Properties

Compound Name9-benzyl-6-(1,3-dihydro-2-benzofuran-5-yl)purine
PubChem CID71365474
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name9-benzyl-6-(1,3-dihydro-2-benzofuran-5-yl)purine
SMILESc1ccc(Cn2cnc3c(-c4ccc5c(c4)COC5)ncnc32)cc1
InChIInChI=1S/C20H16N4O/c1-2-4-14(5-3-1)9-24-13-23-19-18(21-12-22-20(19)24)15-6-7-16-10-25-11-17(16)8-15/h1-8,12-13H,9-11H2
InChIKeyWJMFFSKANOMTSQ-UHFFFAOYSA-N
XLogP3.57
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-6-(1,3-dihydro-2-benzofuran-5-yl)purine?
The IUPAC name of 9-benzyl-6-(1,3-dihydro-2-benzofuran-5-yl)purine (CID 71365474) is 9-benzyl-6-(1,3-dihydro-2-benzofuran-5-yl)purine.
What is the SMILES notation for 9-benzyl-6-(1,3-dihydro-2-benzofuran-5-yl)purine?
The canonical SMILES for 9-benzyl-6-(1,3-dihydro-2-benzofuran-5-yl)purine is c1ccc(Cn2cnc3c(-c4ccc5c(c4)COC5)ncnc32)cc1.
What is the InChIKey of 9-benzyl-6-(1,3-dihydro-2-benzofuran-5-yl)purine?
The InChIKey is WJMFFSKANOMTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-2-4-14(5-3-1)9-24-13-23-19-18(21-12-22-20(19)24)15-6-7-16-10-25-11-17(16)8-15/h1-8,12-13H,9-11H2.
What are the key properties of 9-benzyl-6-(1,3-dihydro-2-benzofuran-5-yl)purine?
9-benzyl-6-(1,3-dihydro-2-benzofuran-5-yl)purine has a molecular weight of 328.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-6-(1,3-dihydro-2-benzofuran-5-yl)purine is sourced from PubChem (CID 71365474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).