6-chloro-8-phenyl-7H-purine

C11H7ClN4 — CID 15363167

IUPAC6-chloro-8-phenyl-7H-purine
SMILESClc1ncnc2nc(-c3ccccc3)[nH]c12
InChIInChI=1S/C11H7ClN4/c12-9-8-11(14-6-13-9)16-10(15-8)7-4-2-1-3-5-7/h1-6H,(H,13,14,15,16)
InChIKeyVRXFEXVHVDAIDY-UHFFFAOYSA-N
MW230.66 g/mol
LogP2.67
Rot. Bonds1

About 6-chloro-8-phenyl-7H-purine

6-chloro-8-phenyl-7H-purine (PubChem CID 15363167) has the molecular formula C11H7ClN4 and a molecular weight of 230.66 g/mol. Its IUPAC name is 6-chloro-8-phenyl-7H-purine.

Molecular Properties

Compound Name6-chloro-8-phenyl-7H-purine
PubChem CID15363167
Molecular FormulaC11H7ClN4
Molecular Weight230.66 g/mol
Exact Mass230.04
IUPAC Name6-chloro-8-phenyl-7H-purine
SMILESClc1ncnc2nc(-c3ccccc3)[nH]c12
InChIInChI=1S/C11H7ClN4/c12-9-8-11(14-6-13-9)16-10(15-8)7-4-2-1-3-5-7/h1-6H,(H,13,14,15,16)
InChIKeyVRXFEXVHVDAIDY-UHFFFAOYSA-N
XLogP2.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-phenyl-7H-purine?
The IUPAC name of 6-chloro-8-phenyl-7H-purine (CID 15363167) is 6-chloro-8-phenyl-7H-purine.
What is the SMILES notation for 6-chloro-8-phenyl-7H-purine?
The canonical SMILES for 6-chloro-8-phenyl-7H-purine is Clc1ncnc2nc(-c3ccccc3)[nH]c12.
What is the InChIKey of 6-chloro-8-phenyl-7H-purine?
The InChIKey is VRXFEXVHVDAIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4/c12-9-8-11(14-6-13-9)16-10(15-8)7-4-2-1-3-5-7/h1-6H,(H,13,14,15,16).
What are the key properties of 6-chloro-8-phenyl-7H-purine?
6-chloro-8-phenyl-7H-purine has a molecular weight of 230.66 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-phenyl-7H-purine is sourced from PubChem (CID 15363167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).