7-ethyl-5H-purin-6-one

C7H8N4O — CID 78171222

IUPAC7-ethyl-5H-purin-6-one
SMILESCCN1C=NC2=NC=NC(=O)C21
InChIInChI=1S/C7H8N4O/c1-2-11-4-10-6-5(11)7(12)9-3-8-6/h3-5H,2H2,1H3
InChIKeyUVJBOAAAPDLTLU-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.31
Rot. Bonds1

About 7-ethyl-5H-purin-6-one

7-ethyl-5H-purin-6-one (PubChem CID 78171222) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 7-ethyl-5H-purin-6-one.

Molecular Properties

Compound Name7-ethyl-5H-purin-6-one
PubChem CID78171222
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name7-ethyl-5H-purin-6-one
SMILESCCN1C=NC2=NC=NC(=O)C21
InChIInChI=1S/C7H8N4O/c1-2-11-4-10-6-5(11)7(12)9-3-8-6/h3-5H,2H2,1H3
InChIKeyUVJBOAAAPDLTLU-UHFFFAOYSA-N
XLogP-0.31
TPSA57.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5H-purin-6-one?
The IUPAC name of 7-ethyl-5H-purin-6-one (CID 78171222) is 7-ethyl-5H-purin-6-one.
What is the SMILES notation for 7-ethyl-5H-purin-6-one?
The canonical SMILES for 7-ethyl-5H-purin-6-one is CCN1C=NC2=NC=NC(=O)C21.
What is the InChIKey of 7-ethyl-5H-purin-6-one?
The InChIKey is UVJBOAAAPDLTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-2-11-4-10-6-5(11)7(12)9-3-8-6/h3-5H,2H2,1H3.
What are the key properties of 7-ethyl-5H-purin-6-one?
7-ethyl-5H-purin-6-one has a molecular weight of 164.17 g/mol, XLogP of -0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5H-purin-6-one is sourced from PubChem (CID 78171222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).