8-ethoxy-9-ethylpurin-6-amine

C9H13N5O — CID 11805896

IUPAC8-ethoxy-9-ethylpurin-6-amine
SMILESCCOc1nc2c(N)ncnc2n1CC
InChIInChI=1S/C9H13N5O/c1-3-14-8-6(7(10)11-5-12-8)13-9(14)15-4-2/h5H,3-4H2,1-2H3,(H2,10,11,12)
InChIKeyQUGDTMONBLMLLD-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.83
Rot. Bonds3

About 8-ethoxy-9-ethylpurin-6-amine

8-ethoxy-9-ethylpurin-6-amine (PubChem CID 11805896) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 8-ethoxy-9-ethylpurin-6-amine.

Molecular Properties

Compound Name8-ethoxy-9-ethylpurin-6-amine
PubChem CID11805896
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name8-ethoxy-9-ethylpurin-6-amine
SMILESCCOc1nc2c(N)ncnc2n1CC
InChIInChI=1S/C9H13N5O/c1-3-14-8-6(7(10)11-5-12-8)13-9(14)15-4-2/h5H,3-4H2,1-2H3,(H2,10,11,12)
InChIKeyQUGDTMONBLMLLD-UHFFFAOYSA-N
XLogP0.83
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-9-ethylpurin-6-amine?
The IUPAC name of 8-ethoxy-9-ethylpurin-6-amine (CID 11805896) is 8-ethoxy-9-ethylpurin-6-amine.
What is the SMILES notation for 8-ethoxy-9-ethylpurin-6-amine?
The canonical SMILES for 8-ethoxy-9-ethylpurin-6-amine is CCOc1nc2c(N)ncnc2n1CC.
What is the InChIKey of 8-ethoxy-9-ethylpurin-6-amine?
The InChIKey is QUGDTMONBLMLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-3-14-8-6(7(10)11-5-12-8)13-9(14)15-4-2/h5H,3-4H2,1-2H3,(H2,10,11,12).
What are the key properties of 8-ethoxy-9-ethylpurin-6-amine?
8-ethoxy-9-ethylpurin-6-amine has a molecular weight of 207.24 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-9-ethylpurin-6-amine is sourced from PubChem (CID 11805896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).