5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile

C11H8N6O — CID 78318510

IUPAC5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNc2ncnc3nc[nH]c23)o1
InChIInChI=1S/C11H8N6O/c12-3-7-1-2-8(18-7)4-13-10-9-11(15-5-14-9)17-6-16-10/h1-2,5-6H,4H2,(H2,13,14,15,16,17)
InChIKeyLYQMAIZPBKKISC-UHFFFAOYSA-N
MW240.23 g/mol
LogP1.43
Rot. Bonds3

About 5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile

5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile (PubChem CID 78318510) has the molecular formula C11H8N6O and a molecular weight of 240.23 g/mol. Its IUPAC name is 5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile
PubChem CID78318510
Molecular FormulaC11H8N6O
Molecular Weight240.23 g/mol
Exact Mass240.08
IUPAC Name5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNc2ncnc3nc[nH]c23)o1
InChIInChI=1S/C11H8N6O/c12-3-7-1-2-8(18-7)4-13-10-9-11(15-5-14-9)17-6-16-10/h1-2,5-6H,4H2,(H2,13,14,15,16,17)
InChIKeyLYQMAIZPBKKISC-UHFFFAOYSA-N
XLogP1.43
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile?
The IUPAC name of 5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile (CID 78318510) is 5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile is N#Cc1ccc(CNc2ncnc3nc[nH]c23)o1.
What is the InChIKey of 5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile?
The InChIKey is LYQMAIZPBKKISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6O/c12-3-7-1-2-8(18-7)4-13-10-9-11(15-5-14-9)17-6-16-10/h1-2,5-6H,4H2,(H2,13,14,15,16,17).
What are the key properties of 5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile?
5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile has a molecular weight of 240.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile is sourced from PubChem (CID 78318510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).