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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-(1,3-dioxolan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
CID 6538809
2-[[(2-Amino-9H-purin-6-yl)amino]methyl]benzenemethanol
CID 25149699
[4-[6-[methyl-[(2-methylphenyl)methyl]amino]-7H-purin-8-yl]phenyl]methanol
CID 171513309
4-[4-[5-(3-ethoxy-4-methyl-phenyl)-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 118429011
2-Chloro-6-(4-methoxyphenyl)-9H-purine
CID 22309606
6-(2-phenyl-4-morpholinyl)-9H-purine
CID 45179834
2-[1-fluoro-3-(phenylmethoxymethyl)cyclobutyl]-7H-purin-6-amine
CID 68802874
6-[2-(1,2-dihydronaphthalen-1-yloxymethyl)pyrrolidin-1-yl]-8-fluoro-7H-purine
CID 91133297
2-[4-(1,3-dihydro-2-benzofuran-5-yl)-1H-imidazol-5-yl]-5-fluoropyridine
CID 162525117
9-Benzyl-6-(1,3-dihydro-2-benzofuran-5-yl)-9H-purine
CID 71365474
6-(4-Methoxyphenyl)-7H-purin-2-amine
CID 71426829
6-(Benzylamino-9-tetrahydropyranyl)-purine
CID 129723081

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).