N,N-dimethyl-8-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-7H-purin-2-amine

C16H17N5O — CID 167796040

IUPACN,N-dimethyl-8-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-7H-purin-2-amine
SMILESCC1Cc2cc(-c3nc4nc(N(C)C)ncc4[nH]3)ccc2O1
InChIInChI=1S/C16H17N5O/c1-9-6-11-7-10(4-5-13(11)22-9)14-18-12-8-17-16(21(2)3)20-15(12)19-14/h4-5,7-9H,6H2,1-3H3,(H,17,18,19,20)
InChIKeyOQXNEMYXOUEODI-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.41
Rot. Bonds2

About N,N-dimethyl-8-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-7H-purin-2-amine

N,N-dimethyl-8-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-7H-purin-2-amine (PubChem CID 167796040) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N,N-dimethyl-8-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-7H-purin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-8-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-7H-purin-2-amine
PubChem CID167796040
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN,N-dimethyl-8-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-7H-purin-2-amine
SMILESCC1Cc2cc(-c3nc4nc(N(C)C)ncc4[nH]3)ccc2O1
InChIInChI=1S/C16H17N5O/c1-9-6-11-7-10(4-5-13(11)22-9)14-18-12-8-17-16(21(2)3)20-15(12)19-14/h4-5,7-9H,6H2,1-3H3,(H,17,18,19,20)
InChIKeyOQXNEMYXOUEODI-UHFFFAOYSA-N
XLogP2.41
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-7H-purin-2-amine?
The IUPAC name of N,N-dimethyl-8-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-7H-purin-2-amine (CID 167796040) is N,N-dimethyl-8-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-7H-purin-2-amine.
What is the SMILES notation for N,N-dimethyl-8-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-7H-purin-2-amine?
The canonical SMILES for N,N-dimethyl-8-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-7H-purin-2-amine is CC1Cc2cc(-c3nc4nc(N(C)C)ncc4[nH]3)ccc2O1.
What is the InChIKey of N,N-dimethyl-8-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-7H-purin-2-amine?
The InChIKey is OQXNEMYXOUEODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-9-6-11-7-10(4-5-13(11)22-9)14-18-12-8-17-16(21(2)3)20-15(12)19-14/h4-5,7-9H,6H2,1-3H3,(H,17,18,19,20).
What are the key properties of N,N-dimethyl-8-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-7H-purin-2-amine?
N,N-dimethyl-8-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-7H-purin-2-amine has a molecular weight of 295.35 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-7H-purin-2-amine is sourced from PubChem (CID 167796040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).