2-ethoxy-6-methoxy-7-methylpurine

C9H12N4O2 — CID 13401644

IUPAC2-ethoxy-6-methoxy-7-methylpurine
SMILESCCOc1nc(OC)c2c(ncn2C)n1
InChIInChI=1S/C9H12N4O2/c1-4-15-9-11-7-6(8(12-9)14-3)13(2)5-10-7/h5H,4H2,1-3H3
InChIKeyZRPOVSLKLJZFNQ-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.77
Rot. Bonds3

About 2-ethoxy-6-methoxy-7-methylpurine

2-ethoxy-6-methoxy-7-methylpurine (PubChem CID 13401644) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-ethoxy-6-methoxy-7-methylpurine.

Molecular Properties

Compound Name2-ethoxy-6-methoxy-7-methylpurine
PubChem CID13401644
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2-ethoxy-6-methoxy-7-methylpurine
SMILESCCOc1nc(OC)c2c(ncn2C)n1
InChIInChI=1S/C9H12N4O2/c1-4-15-9-11-7-6(8(12-9)14-3)13(2)5-10-7/h5H,4H2,1-3H3
InChIKeyZRPOVSLKLJZFNQ-UHFFFAOYSA-N
XLogP0.77
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-methoxy-7-methylpurine?
The IUPAC name of 2-ethoxy-6-methoxy-7-methylpurine (CID 13401644) is 2-ethoxy-6-methoxy-7-methylpurine.
What is the SMILES notation for 2-ethoxy-6-methoxy-7-methylpurine?
The canonical SMILES for 2-ethoxy-6-methoxy-7-methylpurine is CCOc1nc(OC)c2c(ncn2C)n1.
What is the InChIKey of 2-ethoxy-6-methoxy-7-methylpurine?
The InChIKey is ZRPOVSLKLJZFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-4-15-9-11-7-6(8(12-9)14-3)13(2)5-10-7/h5H,4H2,1-3H3.
What are the key properties of 2-ethoxy-6-methoxy-7-methylpurine?
2-ethoxy-6-methoxy-7-methylpurine has a molecular weight of 208.22 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-methoxy-7-methylpurine is sourced from PubChem (CID 13401644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).