8-(2,3-dihydro-1-benzofuran-6-ylmethyl)-7H-purine-2,6-diamine

C14H14N6O — CID 67116919

IUPAC8-(2,3-dihydro-1-benzofuran-6-ylmethyl)-7H-purine-2,6-diamine
SMILESNc1nc(N)c2[nH]c(Cc3ccc4c(c3)OCC4)nc2n1
InChIInChI=1S/C14H14N6O/c15-12-11-13(20-14(16)19-12)18-10(17-11)6-7-1-2-8-3-4-21-9(8)5-7/h1-2,5H,3-4,6H2,(H5,15,16,17,18,19,20)
InChIKeyDSPTXZGHDKLHKT-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.04
Rot. Bonds2

About 8-(2,3-dihydro-1-benzofuran-6-ylmethyl)-7H-purine-2,6-diamine

8-(2,3-dihydro-1-benzofuran-6-ylmethyl)-7H-purine-2,6-diamine (PubChem CID 67116919) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 8-(2,3-dihydro-1-benzofuran-6-ylmethyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name8-(2,3-dihydro-1-benzofuran-6-ylmethyl)-7H-purine-2,6-diamine
PubChem CID67116919
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name8-(2,3-dihydro-1-benzofuran-6-ylmethyl)-7H-purine-2,6-diamine
SMILESNc1nc(N)c2[nH]c(Cc3ccc4c(c3)OCC4)nc2n1
InChIInChI=1S/C14H14N6O/c15-12-11-13(20-14(16)19-12)18-10(17-11)6-7-1-2-8-3-4-21-9(8)5-7/h1-2,5H,3-4,6H2,(H5,15,16,17,18,19,20)
InChIKeyDSPTXZGHDKLHKT-UHFFFAOYSA-N
XLogP1.04
TPSA115.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-8-[(5-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-7H-purin-6-amine
CID 123845632
2-(2,3-dihydro-1-benzofuran-6-yl)ethanamine
CID 82415104
6-ethyl-2,3-dihydro-1-benzofuran
CID 59981216
acetylene;6-ethyl-2,3-dihydro-1-benzofuran
CID 174280285
6-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 130750027
8-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-fluoro-7H-purin-6-amine
CID 11508877
6-(2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran
CID 59832132
2-(2,3-dihydro-1-benzofuran-6-ylmethyl)cyclopentan-1-amine
CID 82393396
3-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperidine
CID 84785524
8-[(3-bromophenyl)methyl]-7H-purin-6-amine
CID 114608290
3-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-ol
CID 131026060
4-[(2,6-diamino-7H-purin-8-yl)methylamino]benzoic acid
CID 3246450

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1-benzofuran-6-ylmethyl)-7H-purine-2,6-diamine?
The IUPAC name of 8-(2,3-dihydro-1-benzofuran-6-ylmethyl)-7H-purine-2,6-diamine (CID 67116919) is 8-(2,3-dihydro-1-benzofuran-6-ylmethyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 8-(2,3-dihydro-1-benzofuran-6-ylmethyl)-7H-purine-2,6-diamine?
The canonical SMILES for 8-(2,3-dihydro-1-benzofuran-6-ylmethyl)-7H-purine-2,6-diamine is Nc1nc(N)c2[nH]c(Cc3ccc4c(c3)OCC4)nc2n1.
What is the InChIKey of 8-(2,3-dihydro-1-benzofuran-6-ylmethyl)-7H-purine-2,6-diamine?
The InChIKey is DSPTXZGHDKLHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c15-12-11-13(20-14(16)19-12)18-10(17-11)6-7-1-2-8-3-4-21-9(8)5-7/h1-2,5H,3-4,6H2,(H5,15,16,17,18,19,20).
What are the key properties of 8-(2,3-dihydro-1-benzofuran-6-ylmethyl)-7H-purine-2,6-diamine?
8-(2,3-dihydro-1-benzofuran-6-ylmethyl)-7H-purine-2,6-diamine has a molecular weight of 282.31 g/mol, XLogP of 1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydro-1-benzofuran-6-ylmethyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 67116919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).