2-chloro-7-[2-(4-chlorophenyl)ethyl]-N-(2-cyclopropylethyl)purin-6-amine

C18H19Cl2N5 — CID 90318644

IUPAC2-chloro-7-[2-(4-chlorophenyl)ethyl]-N-(2-cyclopropylethyl)purin-6-amine
SMILESClc1ccc(CCn2cnc3nc(Cl)nc(NCCC4CC4)c32)cc1
InChIInChI=1S/C18H19Cl2N5/c19-14-5-3-13(4-6-14)8-10-25-11-22-17-15(25)16(23-18(20)24-17)21-9-7-12-1-2-12/h3-6,11-12H,1-2,7-10H2,(H,21,23,24)
InChIKeyPKSDXDPNSROYTG-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.59
Rot. Bonds7

About 2-chloro-7-[2-(4-chlorophenyl)ethyl]-N-(2-cyclopropylethyl)purin-6-amine

2-chloro-7-[2-(4-chlorophenyl)ethyl]-N-(2-cyclopropylethyl)purin-6-amine (PubChem CID 90318644) has the molecular formula C18H19Cl2N5 and a molecular weight of 376.29 g/mol. Its IUPAC name is 2-chloro-7-[2-(4-chlorophenyl)ethyl]-N-(2-cyclopropylethyl)purin-6-amine.

Molecular Properties

Compound Name2-chloro-7-[2-(4-chlorophenyl)ethyl]-N-(2-cyclopropylethyl)purin-6-amine
PubChem CID90318644
Molecular FormulaC18H19Cl2N5
Molecular Weight376.29 g/mol
Exact Mass375.10
IUPAC Name2-chloro-7-[2-(4-chlorophenyl)ethyl]-N-(2-cyclopropylethyl)purin-6-amine
SMILESClc1ccc(CCn2cnc3nc(Cl)nc(NCCC4CC4)c32)cc1
InChIInChI=1S/C18H19Cl2N5/c19-14-5-3-13(4-6-14)8-10-25-11-22-17-15(25)16(23-18(20)24-17)21-9-7-12-1-2-12/h3-6,11-12H,1-2,7-10H2,(H,21,23,24)
InChIKeyPKSDXDPNSROYTG-UHFFFAOYSA-N
XLogP4.59
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-7-[2-(4-chlorophenyl)ethyl]-N-(2-cyclopropylethyl)purin-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 2-chloro-7-[2-(4-chlorophenyl)ethyl]-N-(2-cyclopropylethyl)purin-6-amine?
The IUPAC name of 2-chloro-7-[2-(4-chlorophenyl)ethyl]-N-(2-cyclopropylethyl)purin-6-amine (CID 90318644) is 2-chloro-7-[2-(4-chlorophenyl)ethyl]-N-(2-cyclopropylethyl)purin-6-amine.
What is the SMILES notation for 2-chloro-7-[2-(4-chlorophenyl)ethyl]-N-(2-cyclopropylethyl)purin-6-amine?
The canonical SMILES for 2-chloro-7-[2-(4-chlorophenyl)ethyl]-N-(2-cyclopropylethyl)purin-6-amine is Clc1ccc(CCn2cnc3nc(Cl)nc(NCCC4CC4)c32)cc1.
What is the InChIKey of 2-chloro-7-[2-(4-chlorophenyl)ethyl]-N-(2-cyclopropylethyl)purin-6-amine?
The InChIKey is PKSDXDPNSROYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5/c19-14-5-3-13(4-6-14)8-10-25-11-22-17-15(25)16(23-18(20)24-17)21-9-7-12-1-2-12/h3-6,11-12H,1-2,7-10H2,(H,21,23,24).
What are the key properties of 2-chloro-7-[2-(4-chlorophenyl)ethyl]-N-(2-cyclopropylethyl)purin-6-amine?
2-chloro-7-[2-(4-chlorophenyl)ethyl]-N-(2-cyclopropylethyl)purin-6-amine has a molecular weight of 376.29 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[2-(4-chlorophenyl)ethyl]-N-(2-cyclopropylethyl)purin-6-amine is sourced from PubChem (CID 90318644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).