2-chloro-6-(4-methoxyphenyl)-7H-purine

C12H9ClN4O — CID 22309606

IUPAC2-chloro-6-(4-methoxyphenyl)-7H-purine
SMILESCOc1ccc(-c2nc(Cl)nc3nc[nH]c23)cc1
InChIInChI=1S/C12H9ClN4O/c1-18-8-4-2-7(3-5-8)9-10-11(15-6-14-10)17-12(13)16-9/h2-6H,1H3,(H,14,15,16,17)
InChIKeyGNHACDOTQKVWAU-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.68
Rot. Bonds2

About 2-chloro-6-(4-methoxyphenyl)-7H-purine

2-chloro-6-(4-methoxyphenyl)-7H-purine (PubChem CID 22309606) has the molecular formula C12H9ClN4O and a molecular weight of 260.68 g/mol. Its IUPAC name is 2-chloro-6-(4-methoxyphenyl)-7H-purine.

Molecular Properties

Compound Name2-chloro-6-(4-methoxyphenyl)-7H-purine
PubChem CID22309606
Molecular FormulaC12H9ClN4O
Molecular Weight260.68 g/mol
Exact Mass260.05
IUPAC Name2-chloro-6-(4-methoxyphenyl)-7H-purine
SMILESCOc1ccc(-c2nc(Cl)nc3nc[nH]c23)cc1
InChIInChI=1S/C12H9ClN4O/c1-18-8-4-2-7(3-5-8)9-10-11(15-6-14-10)17-12(13)16-9/h2-6H,1H3,(H,14,15,16,17)
InChIKeyGNHACDOTQKVWAU-UHFFFAOYSA-N
XLogP2.68
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-methoxyphenyl)-7H-purine?
The IUPAC name of 2-chloro-6-(4-methoxyphenyl)-7H-purine (CID 22309606) is 2-chloro-6-(4-methoxyphenyl)-7H-purine.
What is the SMILES notation for 2-chloro-6-(4-methoxyphenyl)-7H-purine?
The canonical SMILES for 2-chloro-6-(4-methoxyphenyl)-7H-purine is COc1ccc(-c2nc(Cl)nc3nc[nH]c23)cc1.
What is the InChIKey of 2-chloro-6-(4-methoxyphenyl)-7H-purine?
The InChIKey is GNHACDOTQKVWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O/c1-18-8-4-2-7(3-5-8)9-10-11(15-6-14-10)17-12(13)16-9/h2-6H,1H3,(H,14,15,16,17).
What are the key properties of 2-chloro-6-(4-methoxyphenyl)-7H-purine?
2-chloro-6-(4-methoxyphenyl)-7H-purine has a molecular weight of 260.68 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-methoxyphenyl)-7H-purine is sourced from PubChem (CID 22309606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).