2-chloro-6-(2-ethylphenoxy)-7H-purine

C13H11ClN4O — CID 113453019

IUPAC2-chloro-6-(2-ethylphenoxy)-7H-purine
SMILESCCc1ccccc1Oc1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C13H11ClN4O/c1-2-8-5-3-4-6-9(8)19-12-10-11(16-7-15-10)17-13(14)18-12/h3-7H,2H2,1H3,(H,15,16,17,18)
InChIKeyWLRDBLLRASXCAN-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.36
Rot. Bonds3

About 2-chloro-6-(2-ethylphenoxy)-7H-purine

2-chloro-6-(2-ethylphenoxy)-7H-purine (PubChem CID 113453019) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 2-chloro-6-(2-ethylphenoxy)-7H-purine.

Molecular Properties

Compound Name2-chloro-6-(2-ethylphenoxy)-7H-purine
PubChem CID113453019
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name2-chloro-6-(2-ethylphenoxy)-7H-purine
SMILESCCc1ccccc1Oc1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C13H11ClN4O/c1-2-8-5-3-4-6-9(8)19-12-10-11(16-7-15-10)17-13(14)18-12/h3-7H,2H2,1H3,(H,15,16,17,18)
InChIKeyWLRDBLLRASXCAN-UHFFFAOYSA-N
XLogP3.36
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-(2-ethoxyphenoxy)-7H-purine
CID 104786931
2-chloro-6-(3-chloro-2-fluorophenoxy)-7H-purine
CID 116688984
2-chloro-6-(5-chloro-2-methylphenoxy)-7H-purine
CID 104787024
5-[(2-chloro-7H-purin-6-yl)oxy]quinoline
CID 103044721
2-chloro-6-(3-chlorophenoxy)-7H-purine
CID 104786941
2-[2-[(2-amino-7H-purin-6-yl)oxy]phenyl]ethanol
CID 91991251
2-chloro-6-(5-chloro-2-nitrophenoxy)-7H-purine
CID 104787001
3,6-dichloro-5-(2-ethylphenoxy)-1,2,4-triazine
CID 81036264
2-chloro-6-(2,3,5-trimethylphenoxy)-7H-purine
CID 104786959
2-chloro-6-(3,4-dimethylphenoxy)-7H-purine
CID 113453013
2-chloro-6-(2-methyl-5-propan-2-ylphenoxy)-7H-purine
CID 104786973
2-chloro-6-(4-methylpentan-2-yloxy)-7H-purine
CID 104786882

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-ethylphenoxy)-7H-purine?
The IUPAC name of 2-chloro-6-(2-ethylphenoxy)-7H-purine (CID 113453019) is 2-chloro-6-(2-ethylphenoxy)-7H-purine.
What is the SMILES notation for 2-chloro-6-(2-ethylphenoxy)-7H-purine?
The canonical SMILES for 2-chloro-6-(2-ethylphenoxy)-7H-purine is CCc1ccccc1Oc1nc(Cl)nc2nc[nH]c12.
What is the InChIKey of 2-chloro-6-(2-ethylphenoxy)-7H-purine?
The InChIKey is WLRDBLLRASXCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-2-8-5-3-4-6-9(8)19-12-10-11(16-7-15-10)17-13(14)18-12/h3-7H,2H2,1H3,(H,15,16,17,18).
What are the key properties of 2-chloro-6-(2-ethylphenoxy)-7H-purine?
2-chloro-6-(2-ethylphenoxy)-7H-purine has a molecular weight of 274.71 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-ethylphenoxy)-7H-purine is sourced from PubChem (CID 113453019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).