2-ethoxy-7-methylpurine

C8H10N4O — CID 173296379

IUPAC2-ethoxy-7-methylpurine
SMILESCCOc1ncc2c(ncn2C)n1
InChIInChI=1S/C8H10N4O/c1-3-13-8-9-4-6-7(11-8)10-5-12(6)2/h4-5H,3H2,1-2H3
InChIKeyUZYPLYIRZKEEKB-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.76
Rot. Bonds2

About 2-ethoxy-7-methylpurine

2-ethoxy-7-methylpurine (PubChem CID 173296379) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-ethoxy-7-methylpurine.

Molecular Properties

Compound Name2-ethoxy-7-methylpurine
PubChem CID173296379
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2-ethoxy-7-methylpurine
SMILESCCOc1ncc2c(ncn2C)n1
InChIInChI=1S/C8H10N4O/c1-3-13-8-9-4-6-7(11-8)10-5-12(6)2/h4-5H,3H2,1-2H3
InChIKeyUZYPLYIRZKEEKB-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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-7-methylpurine?
The IUPAC name of 2-ethoxy-7-methylpurine (CID 173296379) is 2-ethoxy-7-methylpurine.
What is the SMILES notation for 2-ethoxy-7-methylpurine?
The canonical SMILES for 2-ethoxy-7-methylpurine is CCOc1ncc2c(ncn2C)n1.
What is the InChIKey of 2-ethoxy-7-methylpurine?
The InChIKey is UZYPLYIRZKEEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-3-13-8-9-4-6-7(11-8)10-5-12(6)2/h4-5H,3H2,1-2H3.
What are the key properties of 2-ethoxy-7-methylpurine?
2-ethoxy-7-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 2-ethoxy-7-methylpurine is sourced from PubChem (CID 173296379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).