2-(2,3-dihydro-1-benzofuran-5-yl)-7-methylpurine

C14H12N4O — CID 157018415

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-7-methylpurine
SMILESCn1cnc2nc(-c3ccc4c(c3)CCO4)ncc21
InChIInChI=1S/C14H12N4O/c1-18-8-16-14-11(18)7-15-13(17-14)10-2-3-12-9(6-10)4-5-19-12/h2-3,6-8H,4-5H2,1H3
InChIKeyZQEXTROIEZKURM-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.97
Rot. Bonds1

About 2-(2,3-dihydro-1-benzofuran-5-yl)-7-methylpurine

2-(2,3-dihydro-1-benzofuran-5-yl)-7-methylpurine (PubChem CID 157018415) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-7-methylpurine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-7-methylpurine
PubChem CID157018415
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-7-methylpurine
SMILESCn1cnc2nc(-c3ccc4c(c3)CCO4)ncc21
InChIInChI=1S/C14H12N4O/c1-18-8-16-14-11(18)7-15-13(17-14)10-2-3-12-9(6-10)4-5-19-12/h2-3,6-8H,4-5H2,1H3
InChIKeyZQEXTROIEZKURM-UHFFFAOYSA-N
XLogP1.97
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile
CID 116865157
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile
CID 116865195
3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine
CID 122202103
[2-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidin-4-yl]hydrazine
CID 62250356
3-(1-adamantyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,2,4-triazole
CID 59656197
7-methyl-2-[3-(2-methylpropoxy)phenyl]purine
CID 157013000
2-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-1,2,4-triazol-3-one
CID 126773405
5-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-1H-1,2,4-triazole-3-thione
CID 104601953
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-iodo-6-methylpyrimidine
CID 66311652
4,6-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-propylpyrimidine
CID 63613502
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethylpyrimidine
CID 43804064
4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine
CID 83241683

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-7-methylpurine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-7-methylpurine (CID 157018415) is 2-(2,3-dihydro-1-benzofuran-5-yl)-7-methylpurine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-7-methylpurine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-7-methylpurine is Cn1cnc2nc(-c3ccc4c(c3)CCO4)ncc21.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-7-methylpurine?
The InChIKey is ZQEXTROIEZKURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-18-8-16-14-11(18)7-15-13(17-14)10-2-3-12-9(6-10)4-5-19-12/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-7-methylpurine?
2-(2,3-dihydro-1-benzofuran-5-yl)-7-methylpurine has a molecular weight of 252.28 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-7-methylpurine is sourced from PubChem (CID 157018415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).