8-ethoxy-9-methylpurine

C8H10N4O — CID 171383894

IUPAC8-ethoxy-9-methylpurine
SMILESCCOc1nc2cncnc2n1C
InChIInChI=1S/C8H10N4O/c1-3-13-8-11-6-4-9-5-10-7(6)12(8)2/h4-5H,3H2,1-2H3
InChIKeyYORQUFWKTANHHK-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.76
Rot. Bonds2

About 8-ethoxy-9-methylpurine

8-ethoxy-9-methylpurine (PubChem CID 171383894) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 8-ethoxy-9-methylpurine.

Molecular Properties

Compound Name8-ethoxy-9-methylpurine
PubChem CID171383894
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name8-ethoxy-9-methylpurine
SMILESCCOc1nc2cncnc2n1C
InChIInChI=1S/C8H10N4O/c1-3-13-8-11-6-4-9-5-10-7(6)12(8)2/h4-5H,3H2,1-2H3
InChIKeyYORQUFWKTANHHK-UHFFFAOYSA-N
XLogP0.76
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-ethoxy-9-methylpurine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Famciclovir
CID 3324
6-Deoxypenciclovir
CID 128517
Rociclovir
CID 65905
8-Ethoxy-9-ethyladenine
CID 11805896
2-chloro-9-methyl-9H-purine
CID 7147173
Desciclovir
CID 55256
Detiviciclovir
CID 3025970
Dimethylaminopurine
CID 4312426
9-(1-Aminopropan-2-yloxymethyl)purin-6-amine;hydrochloride
CID 44531599
3-(2-Aminopurin-9-yl)oxypropyl acetate
CID 22160549
2-[(2-Aminopurin-9-yl)oxymethyl]propane-1,3-diol
CID 22160573
3-(2-Aminopurin-9-yl)oxypropan-1-ol
CID 22160578

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-9-methylpurine?
The IUPAC name of 8-ethoxy-9-methylpurine (CID 171383894) is 8-ethoxy-9-methylpurine.
What is the SMILES notation for 8-ethoxy-9-methylpurine?
The canonical SMILES for 8-ethoxy-9-methylpurine is CCOc1nc2cncnc2n1C.
What is the InChIKey of 8-ethoxy-9-methylpurine?
The InChIKey is YORQUFWKTANHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-3-13-8-11-6-4-9-5-10-7(6)12(8)2/h4-5H,3H2,1-2H3.
What are the key properties of 8-ethoxy-9-methylpurine?
8-ethoxy-9-methylpurine has a molecular weight of 178.19 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-9-methylpurine is sourced from PubChem (CID 171383894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).