2-methoxy-6,9-dimethylpurine

C8H10N4O — CID 144602702

IUPAC2-methoxy-6,9-dimethylpurine
SMILESCOc1nc(C)c2ncn(C)c2n1
InChIInChI=1S/C8H10N4O/c1-5-6-7(12(2)4-9-6)11-8(10-5)13-3/h4H,1-3H3
InChIKeyGSYZZWCWPPNXPD-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.68
Rot. Bonds1

About 2-methoxy-6,9-dimethylpurine

2-methoxy-6,9-dimethylpurine (PubChem CID 144602702) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-methoxy-6,9-dimethylpurine.

Molecular Properties

Compound Name2-methoxy-6,9-dimethylpurine
PubChem CID144602702
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2-methoxy-6,9-dimethylpurine
SMILESCOc1nc(C)c2ncn(C)c2n1
InChIInChI=1S/C8H10N4O/c1-5-6-7(12(2)4-9-6)11-8(10-5)13-3/h4H,1-3H3
InChIKeyGSYZZWCWPPNXPD-UHFFFAOYSA-N
XLogP0.68
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-6,9-dimethylpurine 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 2-methoxy-6,9-dimethylpurine?
The IUPAC name of 2-methoxy-6,9-dimethylpurine (CID 144602702) is 2-methoxy-6,9-dimethylpurine.
What is the SMILES notation for 2-methoxy-6,9-dimethylpurine?
The canonical SMILES for 2-methoxy-6,9-dimethylpurine is COc1nc(C)c2ncn(C)c2n1.
What is the InChIKey of 2-methoxy-6,9-dimethylpurine?
The InChIKey is GSYZZWCWPPNXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-5-6-7(12(2)4-9-6)11-8(10-5)13-3/h4H,1-3H3.
What are the key properties of 2-methoxy-6,9-dimethylpurine?
2-methoxy-6,9-dimethylpurine has a molecular weight of 178.19 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6,9-dimethylpurine is sourced from PubChem (CID 144602702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).