9-ethenylpurine

C7H6N4 — CID 6455406

IUPAC9-ethenylpurine
SMILESC=Cn1cnc2cncnc21
InChIInChI=1S/C7H6N4/c1-2-11-5-10-6-3-8-4-9-7(6)11/h2-5H,1H2
InChIKeyFEXQRPUJLWGPBP-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.93
Rot. Bonds1

About 9-ethenylpurine

9-ethenylpurine (PubChem CID 6455406) has the molecular formula C7H6N4 and a molecular weight of 146.15 g/mol. Its IUPAC name is 9-ethenylpurine.

Molecular Properties

Compound Name9-ethenylpurine
PubChem CID6455406
Molecular FormulaC7H6N4
Molecular Weight146.15 g/mol
Exact Mass146.06
IUPAC Name9-ethenylpurine
SMILESC=Cn1cnc2cncnc21
InChIInChI=1S/C7H6N4/c1-2-11-5-10-6-3-8-4-9-7(6)11/h2-5H,1H2
InChIKeyFEXQRPUJLWGPBP-UHFFFAOYSA-N
XLogP0.93
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-ethenylpurine 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 9-ethenylpurine?
The IUPAC name of 9-ethenylpurine (CID 6455406) is 9-ethenylpurine.
What is the SMILES notation for 9-ethenylpurine?
The canonical SMILES for 9-ethenylpurine is C=Cn1cnc2cncnc21.
What is the InChIKey of 9-ethenylpurine?
The InChIKey is FEXQRPUJLWGPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4/c1-2-11-5-10-6-3-8-4-9-7(6)11/h2-5H,1H2.
What are the key properties of 9-ethenylpurine?
9-ethenylpurine has a molecular weight of 146.15 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethenylpurine is sourced from PubChem (CID 6455406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).