6-ethyl-9-methyl-1H-purin-2-one

C8H10N4O — CID 89317469

IUPAC6-ethyl-9-methyl-1H-purin-2-one
SMILESCCc1[nH]c(=O)nc2c1ncn2C
InChIInChI=1S/C8H10N4O/c1-3-5-6-7(11-8(13)10-5)12(2)4-9-6/h4H,3H2,1-2H3,(H,10,11,13)
InChIKeyXDPLNYICJSDECC-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.22
Rot. Bonds1

About 6-ethyl-9-methyl-1H-purin-2-one

6-ethyl-9-methyl-1H-purin-2-one (PubChem CID 89317469) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 6-ethyl-9-methyl-1H-purin-2-one.

Molecular Properties

Compound Name6-ethyl-9-methyl-1H-purin-2-one
PubChem CID89317469
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name6-ethyl-9-methyl-1H-purin-2-one
SMILESCCc1[nH]c(=O)nc2c1ncn2C
InChIInChI=1S/C8H10N4O/c1-3-5-6-7(11-8(13)10-5)12(2)4-9-6/h4H,3H2,1-2H3,(H,10,11,13)
InChIKeyXDPLNYICJSDECC-UHFFFAOYSA-N
XLogP0.22
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-9-methyl-1H-purin-2-one 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 6-ethyl-9-methyl-1H-purin-2-one?
The IUPAC name of 6-ethyl-9-methyl-1H-purin-2-one (CID 89317469) is 6-ethyl-9-methyl-1H-purin-2-one.
What is the SMILES notation for 6-ethyl-9-methyl-1H-purin-2-one?
The canonical SMILES for 6-ethyl-9-methyl-1H-purin-2-one is CCc1[nH]c(=O)nc2c1ncn2C.
What is the InChIKey of 6-ethyl-9-methyl-1H-purin-2-one?
The InChIKey is XDPLNYICJSDECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-3-5-6-7(11-8(13)10-5)12(2)4-9-6/h4H,3H2,1-2H3,(H,10,11,13).
What are the key properties of 6-ethyl-9-methyl-1H-purin-2-one?
6-ethyl-9-methyl-1H-purin-2-one has a molecular weight of 178.19 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-9-methyl-1H-purin-2-one is sourced from PubChem (CID 89317469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).