7-benzyl-2-chloro-6-methoxypurine

C13H11ClN4O — CID 132556247

IUPAC7-benzyl-2-chloro-6-methoxypurine
SMILESCOc1nc(Cl)nc2ncn(Cc3ccccc3)c12
InChIInChI=1S/C13H11ClN4O/c1-19-12-10-11(16-13(14)17-12)15-8-18(10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyDBYPZKQMYBWBHR-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.54
Rot. Bonds3

About 7-benzyl-2-chloro-6-methoxypurine

7-benzyl-2-chloro-6-methoxypurine (PubChem CID 132556247) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 7-benzyl-2-chloro-6-methoxypurine.

Molecular Properties

Compound Name7-benzyl-2-chloro-6-methoxypurine
PubChem CID132556247
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name7-benzyl-2-chloro-6-methoxypurine
SMILESCOc1nc(Cl)nc2ncn(Cc3ccccc3)c12
InChIInChI=1S/C13H11ClN4O/c1-19-12-10-11(16-13(14)17-12)15-8-18(10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyDBYPZKQMYBWBHR-UHFFFAOYSA-N
XLogP2.54
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2-chloro-6-methoxypurine?
The IUPAC name of 7-benzyl-2-chloro-6-methoxypurine (CID 132556247) is 7-benzyl-2-chloro-6-methoxypurine.
What is the SMILES notation for 7-benzyl-2-chloro-6-methoxypurine?
The canonical SMILES for 7-benzyl-2-chloro-6-methoxypurine is COc1nc(Cl)nc2ncn(Cc3ccccc3)c12.
What is the InChIKey of 7-benzyl-2-chloro-6-methoxypurine?
The InChIKey is DBYPZKQMYBWBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-19-12-10-11(16-13(14)17-12)15-8-18(10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3.
What are the key properties of 7-benzyl-2-chloro-6-methoxypurine?
7-benzyl-2-chloro-6-methoxypurine has a molecular weight of 274.71 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2-chloro-6-methoxypurine is sourced from PubChem (CID 132556247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).