8-(2,3-dihydro-1-benzofuran-5-yl)-3,7-dihydropurine-2,6-dione

C13H10N4O3 — CID 115600454

IUPAC8-(2,3-dihydro-1-benzofuran-5-yl)-3,7-dihydropurine-2,6-dione
SMILESO=c1[nH]c(=O)c2[nH]c(-c3ccc4c(c3)CCO4)nc2[nH]1
InChIInChI=1S/C13H10N4O3/c18-12-9-11(16-13(19)17-12)15-10(14-9)7-1-2-8-6(5-7)3-4-20-8/h1-2,5H,3-4H2,(H3,14,15,16,17,18,19)
InChIKeyUCUHLFXGWBFZGL-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.54
Rot. Bonds1

About 8-(2,3-dihydro-1-benzofuran-5-yl)-3,7-dihydropurine-2,6-dione

8-(2,3-dihydro-1-benzofuran-5-yl)-3,7-dihydropurine-2,6-dione (PubChem CID 115600454) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 8-(2,3-dihydro-1-benzofuran-5-yl)-3,7-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-(2,3-dihydro-1-benzofuran-5-yl)-3,7-dihydropurine-2,6-dione
PubChem CID115600454
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name8-(2,3-dihydro-1-benzofuran-5-yl)-3,7-dihydropurine-2,6-dione
SMILESO=c1[nH]c(=O)c2[nH]c(-c3ccc4c(c3)CCO4)nc2[nH]1
InChIInChI=1S/C13H10N4O3/c18-12-9-11(16-13(19)17-12)15-10(14-9)7-1-2-8-6(5-7)3-4-20-8/h1-2,5H,3-4H2,(H3,14,15,16,17,18,19)
InChIKeyUCUHLFXGWBFZGL-UHFFFAOYSA-N
XLogP0.54
TPSA103.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 8-(2,3-dihydro-1-benzofuran-5-yl)-3,7-dihydropurine-2,6-dione with MolForge

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Related Compounds

6-(2,3-dihydro-1-benzofuran-5-yl)-8-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione
CID 170503224
2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938226
8-(4-methylphenyl)-3,7-dihydropurine-2,6-dione
CID 113229238
8-(4-bromo-3-fluorophenyl)-3,7-dihydropurine-2,6-dione
CID 115701685
8-(2,3-dihydro-1,4-benzodioxin-5-yl)-3,7-dihydropurine-2,6-dione
CID 114403014
N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 167750663
8-[4-(methylamino)phenyl]-3,7-dihydropurine-2,6-dione
CID 114402176
8-(3,5-dichlorophenyl)-3,7-dihydropurine-2,6-dione
CID 115600453
2-(3,4-dihydro-2H-chromen-6-yl)-3H-quinazolin-4-one
CID 168553146
8-[3-(chloromethyl)phenyl]-3,7-dihydropurine-2,6-dione
CID 114402436
5-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-1H-1,2,4-triazole-3-thione
CID 104601953
4-(2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 106521391

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1-benzofuran-5-yl)-3,7-dihydropurine-2,6-dione?
The IUPAC name of 8-(2,3-dihydro-1-benzofuran-5-yl)-3,7-dihydropurine-2,6-dione (CID 115600454) is 8-(2,3-dihydro-1-benzofuran-5-yl)-3,7-dihydropurine-2,6-dione.
What is the SMILES notation for 8-(2,3-dihydro-1-benzofuran-5-yl)-3,7-dihydropurine-2,6-dione?
The canonical SMILES for 8-(2,3-dihydro-1-benzofuran-5-yl)-3,7-dihydropurine-2,6-dione is O=c1[nH]c(=O)c2[nH]c(-c3ccc4c(c3)CCO4)nc2[nH]1.
What is the InChIKey of 8-(2,3-dihydro-1-benzofuran-5-yl)-3,7-dihydropurine-2,6-dione?
The InChIKey is UCUHLFXGWBFZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c18-12-9-11(16-13(19)17-12)15-10(14-9)7-1-2-8-6(5-7)3-4-20-8/h1-2,5H,3-4H2,(H3,14,15,16,17,18,19).
What are the key properties of 8-(2,3-dihydro-1-benzofuran-5-yl)-3,7-dihydropurine-2,6-dione?
8-(2,3-dihydro-1-benzofuran-5-yl)-3,7-dihydropurine-2,6-dione has a molecular weight of 270.25 g/mol, XLogP of 0.54, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydro-1-benzofuran-5-yl)-3,7-dihydropurine-2,6-dione is sourced from PubChem (CID 115600454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).