6-chloro-9-cyclopropyl-8-methylpurine

C9H9ClN4 — CID 119027078

IUPAC6-chloro-9-cyclopropyl-8-methylpurine
SMILESCc1nc2c(Cl)ncnc2n1C1CC1
InChIInChI=1S/C9H9ClN4/c1-5-13-7-8(10)11-4-12-9(7)14(5)6-2-3-6/h4,6H,2-3H2,1H3
InChIKeyQFYPNQKNSBHOOB-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.12
Rot. Bonds1

About 6-chloro-9-cyclopropyl-8-methylpurine

6-chloro-9-cyclopropyl-8-methylpurine (PubChem CID 119027078) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 6-chloro-9-cyclopropyl-8-methylpurine.

Molecular Properties

Compound Name6-chloro-9-cyclopropyl-8-methylpurine
PubChem CID119027078
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name6-chloro-9-cyclopropyl-8-methylpurine
SMILESCc1nc2c(Cl)ncnc2n1C1CC1
InChIInChI=1S/C9H9ClN4/c1-5-13-7-8(10)11-4-12-9(7)14(5)6-2-3-6/h4,6H,2-3H2,1H3
InChIKeyQFYPNQKNSBHOOB-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-9-cyclopropyl-8-methylpurine 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 6-chloro-9-cyclopropyl-8-methylpurine?
The IUPAC name of 6-chloro-9-cyclopropyl-8-methylpurine (CID 119027078) is 6-chloro-9-cyclopropyl-8-methylpurine.
What is the SMILES notation for 6-chloro-9-cyclopropyl-8-methylpurine?
The canonical SMILES for 6-chloro-9-cyclopropyl-8-methylpurine is Cc1nc2c(Cl)ncnc2n1C1CC1.
What is the InChIKey of 6-chloro-9-cyclopropyl-8-methylpurine?
The InChIKey is QFYPNQKNSBHOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c1-5-13-7-8(10)11-4-12-9(7)14(5)6-2-3-6/h4,6H,2-3H2,1H3.
What are the key properties of 6-chloro-9-cyclopropyl-8-methylpurine?
6-chloro-9-cyclopropyl-8-methylpurine has a molecular weight of 208.65 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-cyclopropyl-8-methylpurine is sourced from PubChem (CID 119027078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).