9-ethenylpurin-2-amine

C7H7N5 — CID 22555835

IUPAC9-ethenylpurin-2-amine
SMILESC=Cn1cnc2cnc(N)nc21
InChIInChI=1S/C7H7N5/c1-2-12-4-10-5-3-9-7(8)11-6(5)12/h2-4H,1H2,(H2,8,9,11)
InChIKeyQZJYXUMGIMDLMJ-UHFFFAOYSA-N
MW161.17 g/mol
LogP0.51
Rot. Bonds1

About 9-ethenylpurin-2-amine

9-ethenylpurin-2-amine (PubChem CID 22555835) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is 9-ethenylpurin-2-amine.

Molecular Properties

Compound Name9-ethenylpurin-2-amine
PubChem CID22555835
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC Name9-ethenylpurin-2-amine
SMILESC=Cn1cnc2cnc(N)nc21
InChIInChI=1S/C7H7N5/c1-2-12-4-10-5-3-9-7(8)11-6(5)12/h2-4H,1H2,(H2,8,9,11)
InChIKeyQZJYXUMGIMDLMJ-UHFFFAOYSA-N
XLogP0.51
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-ethenylpurin-2-amine?
The IUPAC name of 9-ethenylpurin-2-amine (CID 22555835) is 9-ethenylpurin-2-amine.
What is the SMILES notation for 9-ethenylpurin-2-amine?
The canonical SMILES for 9-ethenylpurin-2-amine is C=Cn1cnc2cnc(N)nc21.
What is the InChIKey of 9-ethenylpurin-2-amine?
The InChIKey is QZJYXUMGIMDLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c1-2-12-4-10-5-3-9-7(8)11-6(5)12/h2-4H,1H2,(H2,8,9,11).
What are the key properties of 9-ethenylpurin-2-amine?
9-ethenylpurin-2-amine has a molecular weight of 161.17 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethenylpurin-2-amine is sourced from PubChem (CID 22555835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).