9-methyl-7-(oxolan-2-ylmethyl)purin-8-one

C11H14N4O2 — CID 87051773

IUPAC9-methyl-7-(oxolan-2-ylmethyl)purin-8-one
SMILESCn1c(=O)n(CC2CCCO2)c2cncnc21
InChIInChI=1S/C11H14N4O2/c1-14-10-9(5-12-7-13-10)15(11(14)16)6-8-3-2-4-17-8/h5,7-8H,2-4,6H2,1H3
InChIKeyFAJJKQAQWXQAKG-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.31
Rot. Bonds2

About 9-methyl-7-(oxolan-2-ylmethyl)purin-8-one

9-methyl-7-(oxolan-2-ylmethyl)purin-8-one (PubChem CID 87051773) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 9-methyl-7-(oxolan-2-ylmethyl)purin-8-one.

Molecular Properties

Compound Name9-methyl-7-(oxolan-2-ylmethyl)purin-8-one
PubChem CID87051773
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name9-methyl-7-(oxolan-2-ylmethyl)purin-8-one
SMILESCn1c(=O)n(CC2CCCO2)c2cncnc21
InChIInChI=1S/C11H14N4O2/c1-14-10-9(5-12-7-13-10)15(11(14)16)6-8-3-2-4-17-8/h5,7-8H,2-4,6H2,1H3
InChIKeyFAJJKQAQWXQAKG-UHFFFAOYSA-N
XLogP0.31
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-methyl-7-(oxolan-2-ylmethyl)purin-8-one 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 9-methyl-7-(oxolan-2-ylmethyl)purin-8-one?
The IUPAC name of 9-methyl-7-(oxolan-2-ylmethyl)purin-8-one (CID 87051773) is 9-methyl-7-(oxolan-2-ylmethyl)purin-8-one.
What is the SMILES notation for 9-methyl-7-(oxolan-2-ylmethyl)purin-8-one?
The canonical SMILES for 9-methyl-7-(oxolan-2-ylmethyl)purin-8-one is Cn1c(=O)n(CC2CCCO2)c2cncnc21.
What is the InChIKey of 9-methyl-7-(oxolan-2-ylmethyl)purin-8-one?
The InChIKey is FAJJKQAQWXQAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-14-10-9(5-12-7-13-10)15(11(14)16)6-8-3-2-4-17-8/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 9-methyl-7-(oxolan-2-ylmethyl)purin-8-one?
9-methyl-7-(oxolan-2-ylmethyl)purin-8-one has a molecular weight of 234.26 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-7-(oxolan-2-ylmethyl)purin-8-one is sourced from PubChem (CID 87051773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).