1-ethenylpurine

C7H6N4 — CID 22728280

IUPAC1-ethenylpurine
SMILESC=Cn1cnc2ncnc-2c1
InChIInChI=1S/C7H6N4/c1-2-11-3-6-7(10-5-11)9-4-8-6/h2-5H,1H2
InChIKeyBTHFVSCNWFBKPY-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.88
Rot. Bonds1

About 1-ethenylpurine

1-ethenylpurine (PubChem CID 22728280) has the molecular formula C7H6N4 and a molecular weight of 146.15 g/mol. Its IUPAC name is 1-ethenylpurine.

Molecular Properties

Compound Name1-ethenylpurine
PubChem CID22728280
Molecular FormulaC7H6N4
Molecular Weight146.15 g/mol
Exact Mass146.06
IUPAC Name1-ethenylpurine
SMILESC=Cn1cnc2ncnc-2c1
InChIInChI=1S/C7H6N4/c1-2-11-3-6-7(10-5-11)9-4-8-6/h2-5H,1H2
InChIKeyBTHFVSCNWFBKPY-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylpurine?
The IUPAC name of 1-ethenylpurine (CID 22728280) is 1-ethenylpurine.
What is the SMILES notation for 1-ethenylpurine?
The canonical SMILES for 1-ethenylpurine is C=Cn1cnc2ncnc-2c1.
What is the InChIKey of 1-ethenylpurine?
The InChIKey is BTHFVSCNWFBKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4/c1-2-11-3-6-7(10-5-11)9-4-8-6/h2-5H,1H2.
What are the key properties of 1-ethenylpurine?
1-ethenylpurine has a molecular weight of 146.15 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpurine is sourced from PubChem (CID 22728280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).