2-chloro-9-cyclobutylpurine

C9H9ClN4 — CID 174912111

IUPAC2-chloro-9-cyclobutylpurine
SMILESClc1ncc2ncn(C3CCC3)c2n1
InChIInChI=1S/C9H9ClN4/c10-9-11-4-7-8(13-9)14(5-12-7)6-2-1-3-6/h4-6H,1-3H2
InChIKeyGDARHWNNAOCBEH-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.20
Rot. Bonds1

About 2-chloro-9-cyclobutylpurine

2-chloro-9-cyclobutylpurine (PubChem CID 174912111) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-chloro-9-cyclobutylpurine.

Molecular Properties

Compound Name2-chloro-9-cyclobutylpurine
PubChem CID174912111
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name2-chloro-9-cyclobutylpurine
SMILESClc1ncc2ncn(C3CCC3)c2n1
InChIInChI=1S/C9H9ClN4/c10-9-11-4-7-8(13-9)14(5-12-7)6-2-1-3-6/h4-6H,1-3H2
InChIKeyGDARHWNNAOCBEH-UHFFFAOYSA-N
XLogP2.20
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-9-cyclobutylpurine 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-chloro-9-cyclobutylpurine?
The IUPAC name of 2-chloro-9-cyclobutylpurine (CID 174912111) is 2-chloro-9-cyclobutylpurine.
What is the SMILES notation for 2-chloro-9-cyclobutylpurine?
The canonical SMILES for 2-chloro-9-cyclobutylpurine is Clc1ncc2ncn(C3CCC3)c2n1.
What is the InChIKey of 2-chloro-9-cyclobutylpurine?
The InChIKey is GDARHWNNAOCBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c10-9-11-4-7-8(13-9)14(5-12-7)6-2-1-3-6/h4-6H,1-3H2.
What are the key properties of 2-chloro-9-cyclobutylpurine?
2-chloro-9-cyclobutylpurine has a molecular weight of 208.65 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-cyclobutylpurine is sourced from PubChem (CID 174912111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).