6-chloro-9-(3-chlorophenyl)purine

C11H6Cl2N4 — CID 14322386

IUPAC6-chloro-9-(3-chlorophenyl)purine
SMILESClc1cccc(-n2cnc3c(Cl)ncnc32)c1
InChIInChI=1S/C11H6Cl2N4/c12-7-2-1-3-8(4-7)17-6-16-9-10(13)14-5-15-11(9)17/h1-6H
InChIKeyFNJMVXPDCUVZCZ-UHFFFAOYSA-N
MW265.10 g/mol
LogP3.12
Rot. Bonds1

About 6-chloro-9-(3-chlorophenyl)purine

6-chloro-9-(3-chlorophenyl)purine (PubChem CID 14322386) has the molecular formula C11H6Cl2N4 and a molecular weight of 265.10 g/mol. Its IUPAC name is 6-chloro-9-(3-chlorophenyl)purine.

Molecular Properties

Compound Name6-chloro-9-(3-chlorophenyl)purine
PubChem CID14322386
Molecular FormulaC11H6Cl2N4
Molecular Weight265.10 g/mol
Exact Mass264.00
IUPAC Name6-chloro-9-(3-chlorophenyl)purine
SMILESClc1cccc(-n2cnc3c(Cl)ncnc32)c1
InChIInChI=1S/C11H6Cl2N4/c12-7-2-1-3-8(4-7)17-6-16-9-10(13)14-5-15-11(9)17/h1-6H
InChIKeyFNJMVXPDCUVZCZ-UHFFFAOYSA-N
XLogP3.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-(3-chlorophenyl)purine?
The IUPAC name of 6-chloro-9-(3-chlorophenyl)purine (CID 14322386) is 6-chloro-9-(3-chlorophenyl)purine.
What is the SMILES notation for 6-chloro-9-(3-chlorophenyl)purine?
The canonical SMILES for 6-chloro-9-(3-chlorophenyl)purine is Clc1cccc(-n2cnc3c(Cl)ncnc32)c1.
What is the InChIKey of 6-chloro-9-(3-chlorophenyl)purine?
The InChIKey is FNJMVXPDCUVZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N4/c12-7-2-1-3-8(4-7)17-6-16-9-10(13)14-5-15-11(9)17/h1-6H.
What are the key properties of 6-chloro-9-(3-chlorophenyl)purine?
6-chloro-9-(3-chlorophenyl)purine has a molecular weight of 265.10 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-(3-chlorophenyl)purine is sourced from PubChem (CID 14322386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).