8-(2,3-dihydro-1-benzofuran-3-ylamino)-3,7-dimethylpurine-2,6-dione

C15H15N5O3 — CID 146131202

IUPAC8-(2,3-dihydro-1-benzofuran-3-ylamino)-3,7-dimethylpurine-2,6-dione
SMILESCn1c(NC2COc3ccccc32)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C15H15N5O3/c1-19-11-12(20(2)15(22)18-13(11)21)17-14(19)16-9-7-23-10-6-4-3-5-8(9)10/h3-6,9H,7H2,1-2H3,(H,16,17)(H,18,21,22)
InChIKeyQAONSYBDWMAXAN-UHFFFAOYSA-N
MW313.32 g/mol
LogP0.51
Rot. Bonds2

About 8-(2,3-dihydro-1-benzofuran-3-ylamino)-3,7-dimethylpurine-2,6-dione

8-(2,3-dihydro-1-benzofuran-3-ylamino)-3,7-dimethylpurine-2,6-dione (PubChem CID 146131202) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is 8-(2,3-dihydro-1-benzofuran-3-ylamino)-3,7-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name8-(2,3-dihydro-1-benzofuran-3-ylamino)-3,7-dimethylpurine-2,6-dione
PubChem CID146131202
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name8-(2,3-dihydro-1-benzofuran-3-ylamino)-3,7-dimethylpurine-2,6-dione
SMILESCn1c(NC2COc3ccccc32)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C15H15N5O3/c1-19-11-12(20(2)15(22)18-13(11)21)17-14(19)16-9-7-23-10-6-4-3-5-8(9)10/h3-6,9H,7H2,1-2H3,(H,16,17)(H,18,21,22)
InChIKeyQAONSYBDWMAXAN-UHFFFAOYSA-N
XLogP0.51
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1-benzofuran-3-ylamino)-3,7-dimethylpurine-2,6-dione?
The IUPAC name of 8-(2,3-dihydro-1-benzofuran-3-ylamino)-3,7-dimethylpurine-2,6-dione (CID 146131202) is 8-(2,3-dihydro-1-benzofuran-3-ylamino)-3,7-dimethylpurine-2,6-dione.
What is the SMILES notation for 8-(2,3-dihydro-1-benzofuran-3-ylamino)-3,7-dimethylpurine-2,6-dione?
The canonical SMILES for 8-(2,3-dihydro-1-benzofuran-3-ylamino)-3,7-dimethylpurine-2,6-dione is Cn1c(NC2COc3ccccc32)nc2c1c(=O)[nH]c(=O)n2C.
What is the InChIKey of 8-(2,3-dihydro-1-benzofuran-3-ylamino)-3,7-dimethylpurine-2,6-dione?
The InChIKey is QAONSYBDWMAXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-19-11-12(20(2)15(22)18-13(11)21)17-14(19)16-9-7-23-10-6-4-3-5-8(9)10/h3-6,9H,7H2,1-2H3,(H,16,17)(H,18,21,22).
What are the key properties of 8-(2,3-dihydro-1-benzofuran-3-ylamino)-3,7-dimethylpurine-2,6-dione?
8-(2,3-dihydro-1-benzofuran-3-ylamino)-3,7-dimethylpurine-2,6-dione has a molecular weight of 313.32 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydro-1-benzofuran-3-ylamino)-3,7-dimethylpurine-2,6-dione is sourced from PubChem (CID 146131202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).