2-chloro-7-phenyl-8,9-dihydropurine

C11H9ClN4 — CID 178075727

IUPAC2-chloro-7-phenyl-8,9-dihydropurine
SMILESClc1ncc2c(n1)NCN2c1ccccc1
InChIInChI=1S/C11H9ClN4/c12-11-13-6-9-10(15-11)14-7-16(9)8-4-2-1-3-5-8/h1-6H,7H2,(H,13,14,15)
InChIKeyRUJOKLNMUFQPQB-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.65
Rot. Bonds1

About 2-chloro-7-phenyl-8,9-dihydropurine

2-chloro-7-phenyl-8,9-dihydropurine (PubChem CID 178075727) has the molecular formula C11H9ClN4 and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-chloro-7-phenyl-8,9-dihydropurine.

Molecular Properties

Compound Name2-chloro-7-phenyl-8,9-dihydropurine
PubChem CID178075727
Molecular FormulaC11H9ClN4
Molecular Weight232.67 g/mol
Exact Mass232.05
IUPAC Name2-chloro-7-phenyl-8,9-dihydropurine
SMILESClc1ncc2c(n1)NCN2c1ccccc1
InChIInChI=1S/C11H9ClN4/c12-11-13-6-9-10(15-11)14-7-16(9)8-4-2-1-3-5-8/h1-6H,7H2,(H,13,14,15)
InChIKeyRUJOKLNMUFQPQB-UHFFFAOYSA-N
XLogP2.65
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-7-phenyl-8,9-dihydropurine 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-7-phenyl-8,9-dihydropurine?
The IUPAC name of 2-chloro-7-phenyl-8,9-dihydropurine (CID 178075727) is 2-chloro-7-phenyl-8,9-dihydropurine.
What is the SMILES notation for 2-chloro-7-phenyl-8,9-dihydropurine?
The canonical SMILES for 2-chloro-7-phenyl-8,9-dihydropurine is Clc1ncc2c(n1)NCN2c1ccccc1.
What is the InChIKey of 2-chloro-7-phenyl-8,9-dihydropurine?
The InChIKey is RUJOKLNMUFQPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4/c12-11-13-6-9-10(15-11)14-7-16(9)8-4-2-1-3-5-8/h1-6H,7H2,(H,13,14,15).
What are the key properties of 2-chloro-7-phenyl-8,9-dihydropurine?
2-chloro-7-phenyl-8,9-dihydropurine has a molecular weight of 232.67 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-phenyl-8,9-dihydropurine is sourced from PubChem (CID 178075727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).