2-ethyl-7,8-dimethylpurine

C9H12N4 — CID 10487505

IUPAC2-ethyl-7,8-dimethylpurine
SMILESCCc1ncc2c(n1)nc(C)n2C
InChIInChI=1S/C9H12N4/c1-4-8-10-5-7-9(12-8)11-6(2)13(7)3/h5H,4H2,1-3H3
InChIKeyNZYJNWKMKNBDHG-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.23
Rot. Bonds1

About 2-ethyl-7,8-dimethylpurine

2-ethyl-7,8-dimethylpurine (PubChem CID 10487505) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-ethyl-7,8-dimethylpurine.

Molecular Properties

Compound Name2-ethyl-7,8-dimethylpurine
PubChem CID10487505
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name2-ethyl-7,8-dimethylpurine
SMILESCCc1ncc2c(n1)nc(C)n2C
InChIInChI=1S/C9H12N4/c1-4-8-10-5-7-9(12-8)11-6(2)13(7)3/h5H,4H2,1-3H3
InChIKeyNZYJNWKMKNBDHG-UHFFFAOYSA-N
XLogP1.23
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-7,8-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-ethyl-7,8-dimethylpurine?
The IUPAC name of 2-ethyl-7,8-dimethylpurine (CID 10487505) is 2-ethyl-7,8-dimethylpurine.
What is the SMILES notation for 2-ethyl-7,8-dimethylpurine?
The canonical SMILES for 2-ethyl-7,8-dimethylpurine is CCc1ncc2c(n1)nc(C)n2C.
What is the InChIKey of 2-ethyl-7,8-dimethylpurine?
The InChIKey is NZYJNWKMKNBDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-4-8-10-5-7-9(12-8)11-6(2)13(7)3/h5H,4H2,1-3H3.
What are the key properties of 2-ethyl-7,8-dimethylpurine?
2-ethyl-7,8-dimethylpurine has a molecular weight of 176.22 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7,8-dimethylpurine is sourced from PubChem (CID 10487505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).