N-(3-chlorophenyl)-9-ethylpurin-6-amine

C13H12ClN5 — CID 57203375

IUPACN-(3-chlorophenyl)-9-ethylpurin-6-amine
SMILESCCn1cnc2c(Nc3cccc(Cl)c3)ncnc21
InChIInChI=1S/C13H12ClN5/c1-2-19-8-17-11-12(15-7-16-13(11)19)18-10-5-3-4-9(14)6-10/h3-8H,2H2,1H3,(H,15,16,18)
InChIKeyXJGOAWKHMGZDFR-UHFFFAOYSA-N
MW273.73 g/mol
LogP3.24
Rot. Bonds3

About N-(3-chlorophenyl)-9-ethylpurin-6-amine

N-(3-chlorophenyl)-9-ethylpurin-6-amine (PubChem CID 57203375) has the molecular formula C13H12ClN5 and a molecular weight of 273.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)-9-ethylpurin-6-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-9-ethylpurin-6-amine
PubChem CID57203375
Molecular FormulaC13H12ClN5
Molecular Weight273.73 g/mol
Exact Mass273.08
IUPAC NameN-(3-chlorophenyl)-9-ethylpurin-6-amine
SMILESCCn1cnc2c(Nc3cccc(Cl)c3)ncnc21
InChIInChI=1S/C13H12ClN5/c1-2-19-8-17-11-12(15-7-16-13(11)19)18-10-5-3-4-9(14)6-10/h3-8H,2H2,1H3,(H,15,16,18)
InChIKeyXJGOAWKHMGZDFR-UHFFFAOYSA-N
XLogP3.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chlorophenyl)-9-ethylpurin-6-amine 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 N-(3-chlorophenyl)-9-ethylpurin-6-amine?
The IUPAC name of N-(3-chlorophenyl)-9-ethylpurin-6-amine (CID 57203375) is N-(3-chlorophenyl)-9-ethylpurin-6-amine.
What is the SMILES notation for N-(3-chlorophenyl)-9-ethylpurin-6-amine?
The canonical SMILES for N-(3-chlorophenyl)-9-ethylpurin-6-amine is CCn1cnc2c(Nc3cccc(Cl)c3)ncnc21.
What is the InChIKey of N-(3-chlorophenyl)-9-ethylpurin-6-amine?
The InChIKey is XJGOAWKHMGZDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5/c1-2-19-8-17-11-12(15-7-16-13(11)19)18-10-5-3-4-9(14)6-10/h3-8H,2H2,1H3,(H,15,16,18).
What are the key properties of N-(3-chlorophenyl)-9-ethylpurin-6-amine?
N-(3-chlorophenyl)-9-ethylpurin-6-amine has a molecular weight of 273.73 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-9-ethylpurin-6-amine is sourced from PubChem (CID 57203375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).