8-[6-[2-(furan-2-yl)ethyl]-7H-purin-1-ium-1-yl]-7H-purin-6-amine

C16H14N9O+ — CID 123613179

IUPAC8-[6-[2-(furan-2-yl)ethyl]-7H-purin-1-ium-1-yl]-7H-purin-6-amine
SMILESNc1ncnc2nc(-[n+]3cnc4nc[nH]c4c3CCc3ccco3)[nH]c12
InChIInChI=1S/C16H13N9O/c17-13-12-15(21-7-19-13)24-16(23-12)25-8-22-14-11(18-6-20-14)10(25)4-3-9-2-1-5-26-9/h1-2,5-8H,3-4H2,(H3,17,19,21,23,24)/p+1
InChIKeyOSLCGBOVPYWAKB-UHFFFAOYSA-O
MW348.35 g/mol
LogP0.86
Rot. Bonds4

About 8-[6-[2-(furan-2-yl)ethyl]-7H-purin-1-ium-1-yl]-7H-purin-6-amine

8-[6-[2-(furan-2-yl)ethyl]-7H-purin-1-ium-1-yl]-7H-purin-6-amine (PubChem CID 123613179) has the molecular formula C16H14N9O+ and a molecular weight of 348.35 g/mol. Its IUPAC name is 8-[6-[2-(furan-2-yl)ethyl]-7H-purin-1-ium-1-yl]-7H-purin-6-amine.

Molecular Properties

Compound Name8-[6-[2-(furan-2-yl)ethyl]-7H-purin-1-ium-1-yl]-7H-purin-6-amine
PubChem CID123613179
Molecular FormulaC16H14N9O+
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name8-[6-[2-(furan-2-yl)ethyl]-7H-purin-1-ium-1-yl]-7H-purin-6-amine
SMILESNc1ncnc2nc(-[n+]3cnc4nc[nH]c4c3CCc3ccco3)[nH]c12
InChIInChI=1S/C16H13N9O/c17-13-12-15(21-7-19-13)24-16(23-12)25-8-22-14-11(18-6-20-14)10(25)4-3-9-2-1-5-26-9/h1-2,5-8H,3-4H2,(H3,17,19,21,23,24)/p+1
InChIKeyOSLCGBOVPYWAKB-UHFFFAOYSA-O
XLogP0.86
TPSA139.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Kinetin
CID 3830
6-(furan-2-yl)-9H-purin-2-amine
CID 9834240
6-Furan-2-yl-9-phenyl-9H-purin-2-ylamine
CID 44401937
6-(furan-2-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538801
N-[4-(5-furan-2-yl-3-methyl-1h-pyrazol-4-yl)butyl]-n-methyl-7h-purin-6-amine
CID 46238526
2-Methyl-6-(5-methyl-furan-2-yl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10040233
2-amino-6-(furan-2-yl)-N-(furan-2-ylmethyl)purine-9-carboxamide
CID 9923269
5-(2-furyl)-6-pyrimidin-4-yl-3H-imidazo[4,5-b]pyridine
CID 11952504
2-Chloro-9-[[6-(furan-2-yl)-2-pyridinyl]methyl]purin-6-amine
CID 162661632
6-Furfurylamino-9-tetrahydrofuran-2-ylpurine
CID 53237485
Furfuryl adenine
CID 22620828
6-Furan-2-yl-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10519637

Frequently Asked Questions

What is the IUPAC name of 8-[6-[2-(furan-2-yl)ethyl]-7H-purin-1-ium-1-yl]-7H-purin-6-amine?
The IUPAC name of 8-[6-[2-(furan-2-yl)ethyl]-7H-purin-1-ium-1-yl]-7H-purin-6-amine (CID 123613179) is 8-[6-[2-(furan-2-yl)ethyl]-7H-purin-1-ium-1-yl]-7H-purin-6-amine.
What is the SMILES notation for 8-[6-[2-(furan-2-yl)ethyl]-7H-purin-1-ium-1-yl]-7H-purin-6-amine?
The canonical SMILES for 8-[6-[2-(furan-2-yl)ethyl]-7H-purin-1-ium-1-yl]-7H-purin-6-amine is Nc1ncnc2nc(-[n+]3cnc4nc[nH]c4c3CCc3ccco3)[nH]c12.
What is the InChIKey of 8-[6-[2-(furan-2-yl)ethyl]-7H-purin-1-ium-1-yl]-7H-purin-6-amine?
The InChIKey is OSLCGBOVPYWAKB-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H13N9O/c17-13-12-15(21-7-19-13)24-16(23-12)25-8-22-14-11(18-6-20-14)10(25)4-3-9-2-1-5-26-9/h1-2,5-8H,3-4H2,(H3,17,19,21,23,24)/p+1.
What are the key properties of 8-[6-[2-(furan-2-yl)ethyl]-7H-purin-1-ium-1-yl]-7H-purin-6-amine?
8-[6-[2-(furan-2-yl)ethyl]-7H-purin-1-ium-1-yl]-7H-purin-6-amine has a molecular weight of 348.35 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[2-(furan-2-yl)ethyl]-7H-purin-1-ium-1-yl]-7H-purin-6-amine is sourced from PubChem (CID 123613179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).