7-benzyl-2-chloro-N-(4-chlorophenyl)purin-6-amine

C18H13Cl2N5 — CID 59322263

IUPAC7-benzyl-2-chloro-N-(4-chlorophenyl)purin-6-amine
SMILESClc1ccc(Nc2nc(Cl)nc3ncn(Cc4ccccc4)c23)cc1
InChIInChI=1S/C18H13Cl2N5/c19-13-6-8-14(9-7-13)22-17-15-16(23-18(20)24-17)21-11-25(15)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,22,23,24)
InChIKeyQBLJOMNZVJBRFX-UHFFFAOYSA-N
MW370.24 g/mol
LogP4.93
Rot. Bonds4

About 7-benzyl-2-chloro-N-(4-chlorophenyl)purin-6-amine

7-benzyl-2-chloro-N-(4-chlorophenyl)purin-6-amine (PubChem CID 59322263) has the molecular formula C18H13Cl2N5 and a molecular weight of 370.24 g/mol. Its IUPAC name is 7-benzyl-2-chloro-N-(4-chlorophenyl)purin-6-amine.

Molecular Properties

Compound Name7-benzyl-2-chloro-N-(4-chlorophenyl)purin-6-amine
PubChem CID59322263
Molecular FormulaC18H13Cl2N5
Molecular Weight370.24 g/mol
Exact Mass369.05
IUPAC Name7-benzyl-2-chloro-N-(4-chlorophenyl)purin-6-amine
SMILESClc1ccc(Nc2nc(Cl)nc3ncn(Cc4ccccc4)c23)cc1
InChIInChI=1S/C18H13Cl2N5/c19-13-6-8-14(9-7-13)22-17-15-16(23-18(20)24-17)21-11-25(15)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,22,23,24)
InChIKeyQBLJOMNZVJBRFX-UHFFFAOYSA-N
XLogP4.93
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-benzyl-2-chloro-N-(4-chlorophenyl)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 7-benzyl-2-chloro-N-(4-chlorophenyl)purin-6-amine?
The IUPAC name of 7-benzyl-2-chloro-N-(4-chlorophenyl)purin-6-amine (CID 59322263) is 7-benzyl-2-chloro-N-(4-chlorophenyl)purin-6-amine.
What is the SMILES notation for 7-benzyl-2-chloro-N-(4-chlorophenyl)purin-6-amine?
The canonical SMILES for 7-benzyl-2-chloro-N-(4-chlorophenyl)purin-6-amine is Clc1ccc(Nc2nc(Cl)nc3ncn(Cc4ccccc4)c23)cc1.
What is the InChIKey of 7-benzyl-2-chloro-N-(4-chlorophenyl)purin-6-amine?
The InChIKey is QBLJOMNZVJBRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N5/c19-13-6-8-14(9-7-13)22-17-15-16(23-18(20)24-17)21-11-25(15)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,22,23,24).
What are the key properties of 7-benzyl-2-chloro-N-(4-chlorophenyl)purin-6-amine?
7-benzyl-2-chloro-N-(4-chlorophenyl)purin-6-amine has a molecular weight of 370.24 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2-chloro-N-(4-chlorophenyl)purin-6-amine is sourced from PubChem (CID 59322263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).