4-(6-aminopurin-9-yl)cyclopent-2-ene-1-carbonitrile

C11H10N6 — CID 22985708

IUPAC4-(6-aminopurin-9-yl)cyclopent-2-ene-1-carbonitrile
SMILESN#CC1C=CC(n2cnc3c(N)ncnc32)C1
InChIInChI=1S/C11H10N6/c12-4-7-1-2-8(3-7)17-6-16-9-10(13)14-5-15-11(9)17/h1-2,5-8H,3H2,(H2,13,14,15)
InChIKeyISYZTKBOKUIQRH-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.05
Rot. Bonds1

About 4-(6-aminopurin-9-yl)cyclopent-2-ene-1-carbonitrile

4-(6-aminopurin-9-yl)cyclopent-2-ene-1-carbonitrile (PubChem CID 22985708) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-(6-aminopurin-9-yl)cyclopent-2-ene-1-carbonitrile.

Molecular Properties

Compound Name4-(6-aminopurin-9-yl)cyclopent-2-ene-1-carbonitrile
PubChem CID22985708
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name4-(6-aminopurin-9-yl)cyclopent-2-ene-1-carbonitrile
SMILESN#CC1C=CC(n2cnc3c(N)ncnc32)C1
InChIInChI=1S/C11H10N6/c12-4-7-1-2-8(3-7)17-6-16-9-10(13)14-5-15-11(9)17/h1-2,5-8H,3H2,(H2,13,14,15)
InChIKeyISYZTKBOKUIQRH-UHFFFAOYSA-N
XLogP1.05
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(6-aminopurin-9-yl)cyclopent-2-ene-1-carbonitrile 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

9-(4-methyliodanuidylcyclopent-2-en-1-yl)purin-6-amine
CID 149235601
9-[(4R)-4-azidocyclopent-2-en-1-yl]purin-6-amine
CID 174354464
9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purin-6-amine
CID 10827148
4-(6-aminopurin-9-yl)cyclohex-2-en-1-ol
CID 19047346
9-cyclopent-2-en-1-ylpurin-6-amine
CID 15673657
2-[4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetic acid
CID 20779328
diazanium;9-[(1R,4S)-4-(phosphonatomethoxy)cyclopent-2-en-1-yl]purin-6-amine
CID 171628949
[[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 21059656
methyl 2-[4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetate
CID 20779356
(1S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopent-2-en-1-ol
CID 506144
(1R,4R)-4-(6-aminopurin-9-yl)-2-fluoro-1-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol
CID 145339378
(1R,2S,4R)-2-(6-aminopurin-9-yl)-4-(hydroxymethyl)-3-methylidenecyclobutane-1-carbonitrile
CID 147729560

Frequently Asked Questions

What is the IUPAC name of 4-(6-aminopurin-9-yl)cyclopent-2-ene-1-carbonitrile?
The IUPAC name of 4-(6-aminopurin-9-yl)cyclopent-2-ene-1-carbonitrile (CID 22985708) is 4-(6-aminopurin-9-yl)cyclopent-2-ene-1-carbonitrile.
What is the SMILES notation for 4-(6-aminopurin-9-yl)cyclopent-2-ene-1-carbonitrile?
The canonical SMILES for 4-(6-aminopurin-9-yl)cyclopent-2-ene-1-carbonitrile is N#CC1C=CC(n2cnc3c(N)ncnc32)C1.
What is the InChIKey of 4-(6-aminopurin-9-yl)cyclopent-2-ene-1-carbonitrile?
The InChIKey is ISYZTKBOKUIQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c12-4-7-1-2-8(3-7)17-6-16-9-10(13)14-5-15-11(9)17/h1-2,5-8H,3H2,(H2,13,14,15).
What are the key properties of 4-(6-aminopurin-9-yl)cyclopent-2-ene-1-carbonitrile?
4-(6-aminopurin-9-yl)cyclopent-2-ene-1-carbonitrile has a molecular weight of 226.24 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminopurin-9-yl)cyclopent-2-ene-1-carbonitrile is sourced from PubChem (CID 22985708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).