9-ethyl-6-methoxypurine

C8H10N4O — CID 118600108

IUPAC9-ethyl-6-methoxypurine
SMILESCCn1cnc2c(OC)ncnc21
InChIInChI=1S/C8H10N4O/c1-3-12-5-11-6-7(12)9-4-10-8(6)13-2/h4-5H,3H2,1-2H3
InChIKeyCXNOMPAZFVMAFL-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.85
Rot. Bonds2

About 9-ethyl-6-methoxypurine

9-ethyl-6-methoxypurine (PubChem CID 118600108) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 9-ethyl-6-methoxypurine.

Molecular Properties

Compound Name9-ethyl-6-methoxypurine
PubChem CID118600108
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name9-ethyl-6-methoxypurine
SMILESCCn1cnc2c(OC)ncnc21
InChIInChI=1S/C8H10N4O/c1-3-12-5-11-6-7(12)9-4-10-8(6)13-2/h4-5H,3H2,1-2H3
InChIKeyCXNOMPAZFVMAFL-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6-methoxypurine?
The IUPAC name of 9-ethyl-6-methoxypurine (CID 118600108) is 9-ethyl-6-methoxypurine.
What is the SMILES notation for 9-ethyl-6-methoxypurine?
The canonical SMILES for 9-ethyl-6-methoxypurine is CCn1cnc2c(OC)ncnc21.
What is the InChIKey of 9-ethyl-6-methoxypurine?
The InChIKey is CXNOMPAZFVMAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-3-12-5-11-6-7(12)9-4-10-8(6)13-2/h4-5H,3H2,1-2H3.
What are the key properties of 9-ethyl-6-methoxypurine?
9-ethyl-6-methoxypurine has a molecular weight of 178.19 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6-methoxypurine is sourced from PubChem (CID 118600108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).