6-(1,3-dihydro-2-benzofuran-5-yl)-7H-purine

C13H10N4O — CID 11470431

IUPAC6-(1,3-dihydro-2-benzofuran-5-yl)-7H-purine
SMILESc1nc(-c2ccc3c(c2)COC3)c2[nH]cnc2n1
InChIInChI=1S/C13H10N4O/c1-2-9-4-18-5-10(9)3-8(1)11-12-13(16-6-14-11)17-7-15-12/h1-3,6-7H,4-5H2,(H,14,15,16,17)
InChIKeyBRUITZJPFPEVDV-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.05
Rot. Bonds1

About 6-(1,3-dihydro-2-benzofuran-5-yl)-7H-purine

6-(1,3-dihydro-2-benzofuran-5-yl)-7H-purine (PubChem CID 11470431) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 6-(1,3-dihydro-2-benzofuran-5-yl)-7H-purine.

Molecular Properties

Compound Name6-(1,3-dihydro-2-benzofuran-5-yl)-7H-purine
PubChem CID11470431
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name6-(1,3-dihydro-2-benzofuran-5-yl)-7H-purine
SMILESc1nc(-c2ccc3c(c2)COC3)c2[nH]cnc2n1
InChIInChI=1S/C13H10N4O/c1-2-9-4-18-5-10(9)3-8(1)11-12-13(16-6-14-11)17-7-15-12/h1-3,6-7H,4-5H2,(H,14,15,16,17)
InChIKeyBRUITZJPFPEVDV-UHFFFAOYSA-N
XLogP2.05
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dihydro-2-benzofuran-5-yl)-7H-purine?
The IUPAC name of 6-(1,3-dihydro-2-benzofuran-5-yl)-7H-purine (CID 11470431) is 6-(1,3-dihydro-2-benzofuran-5-yl)-7H-purine.
What is the SMILES notation for 6-(1,3-dihydro-2-benzofuran-5-yl)-7H-purine?
The canonical SMILES for 6-(1,3-dihydro-2-benzofuran-5-yl)-7H-purine is c1nc(-c2ccc3c(c2)COC3)c2[nH]cnc2n1.
What is the InChIKey of 6-(1,3-dihydro-2-benzofuran-5-yl)-7H-purine?
The InChIKey is BRUITZJPFPEVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c1-2-9-4-18-5-10(9)3-8(1)11-12-13(16-6-14-11)17-7-15-12/h1-3,6-7H,4-5H2,(H,14,15,16,17).
What are the key properties of 6-(1,3-dihydro-2-benzofuran-5-yl)-7H-purine?
6-(1,3-dihydro-2-benzofuran-5-yl)-7H-purine has a molecular weight of 238.25 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dihydro-2-benzofuran-5-yl)-7H-purine is sourced from PubChem (CID 11470431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).