2-chloro-6-(3-chlorophenoxy)-7H-purine

C11H6Cl2N4O — CID 104786941

IUPAC2-chloro-6-(3-chlorophenoxy)-7H-purine
SMILESClc1cccc(Oc2nc(Cl)nc3nc[nH]c23)c1
InChIInChI=1S/C11H6Cl2N4O/c12-6-2-1-3-7(4-6)18-10-8-9(15-5-14-8)16-11(13)17-10/h1-5H,(H,14,15,16,17)
InChIKeyFNEFIWXZPXVGTB-UHFFFAOYSA-N
MW281.10 g/mol
LogP3.45
Rot. Bonds2

About 2-chloro-6-(3-chlorophenoxy)-7H-purine

2-chloro-6-(3-chlorophenoxy)-7H-purine (PubChem CID 104786941) has the molecular formula C11H6Cl2N4O and a molecular weight of 281.10 g/mol. Its IUPAC name is 2-chloro-6-(3-chlorophenoxy)-7H-purine.

Molecular Properties

Compound Name2-chloro-6-(3-chlorophenoxy)-7H-purine
PubChem CID104786941
Molecular FormulaC11H6Cl2N4O
Molecular Weight281.10 g/mol
Exact Mass279.99
IUPAC Name2-chloro-6-(3-chlorophenoxy)-7H-purine
SMILESClc1cccc(Oc2nc(Cl)nc3nc[nH]c23)c1
InChIInChI=1S/C11H6Cl2N4O/c12-6-2-1-3-7(4-6)18-10-8-9(15-5-14-8)16-11(13)17-10/h1-5H,(H,14,15,16,17)
InChIKeyFNEFIWXZPXVGTB-UHFFFAOYSA-N
XLogP3.45
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-[3-(trifluoromethyl)phenoxy]-7H-purine
CID 104786953
2-chloro-6-(3,4-dimethylphenoxy)-7H-purine
CID 113453013
2-chloro-6-(5-chloro-2-methylphenoxy)-7H-purine
CID 104787024
2-chloro-6-(2-ethoxyphenoxy)-7H-purine
CID 104786931
2-chloro-6-(3-chloro-2-fluorophenoxy)-7H-purine
CID 116688984
6-(3-bromo-5-fluorophenoxy)-2-chloro-7H-purine
CID 104697450
2-chloro-6-(2-ethylphenoxy)-7H-purine
CID 113453019
5-[(2-chloro-7H-purin-6-yl)oxy]quinoline
CID 103044721
6-(3-ethylphenoxy)-7H-purin-2-amine
CID 114786919
2-chloro-6-(5-chloro-2-nitrophenoxy)-7H-purine
CID 104787001
2-chloro-6-[(4-chlorophenyl)methoxy]-7H-purine
CID 86188206
2-chloro-6-(2,3,5-trimethylphenoxy)-7H-purine
CID 104786959

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-chlorophenoxy)-7H-purine?
The IUPAC name of 2-chloro-6-(3-chlorophenoxy)-7H-purine (CID 104786941) is 2-chloro-6-(3-chlorophenoxy)-7H-purine.
What is the SMILES notation for 2-chloro-6-(3-chlorophenoxy)-7H-purine?
The canonical SMILES for 2-chloro-6-(3-chlorophenoxy)-7H-purine is Clc1cccc(Oc2nc(Cl)nc3nc[nH]c23)c1.
What is the InChIKey of 2-chloro-6-(3-chlorophenoxy)-7H-purine?
The InChIKey is FNEFIWXZPXVGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N4O/c12-6-2-1-3-7(4-6)18-10-8-9(15-5-14-8)16-11(13)17-10/h1-5H,(H,14,15,16,17).
What are the key properties of 2-chloro-6-(3-chlorophenoxy)-7H-purine?
2-chloro-6-(3-chlorophenoxy)-7H-purine has a molecular weight of 281.10 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-chlorophenoxy)-7H-purine is sourced from PubChem (CID 104786941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).