9-phenyl-2-pyridin-3-ylpurine

C16H11N5 — CID 67147959

IUPAC9-phenyl-2-pyridin-3-ylpurine
SMILESc1ccc(-n2cnc3cnc(-c4cccnc4)nc32)cc1
InChIInChI=1S/C16H11N5/c1-2-6-13(7-3-1)21-11-19-14-10-18-15(20-16(14)21)12-5-4-8-17-9-12/h1-11H
InChIKeyVPZAPUBRYMOGLR-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.88
Rot. Bonds2

About 9-phenyl-2-pyridin-3-ylpurine

9-phenyl-2-pyridin-3-ylpurine (PubChem CID 67147959) has the molecular formula C16H11N5 and a molecular weight of 273.30 g/mol. Its IUPAC name is 9-phenyl-2-pyridin-3-ylpurine.

Molecular Properties

Compound Name9-phenyl-2-pyridin-3-ylpurine
PubChem CID67147959
Molecular FormulaC16H11N5
Molecular Weight273.30 g/mol
Exact Mass273.10
IUPAC Name9-phenyl-2-pyridin-3-ylpurine
SMILESc1ccc(-n2cnc3cnc(-c4cccnc4)nc32)cc1
InChIInChI=1S/C16H11N5/c1-2-6-13(7-3-1)21-11-19-14-10-18-15(20-16(14)21)12-5-4-8-17-9-12/h1-11H
InChIKeyVPZAPUBRYMOGLR-UHFFFAOYSA-N
XLogP2.88
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-pyridin-3-ylpurine?
The IUPAC name of 9-phenyl-2-pyridin-3-ylpurine (CID 67147959) is 9-phenyl-2-pyridin-3-ylpurine.
What is the SMILES notation for 9-phenyl-2-pyridin-3-ylpurine?
The canonical SMILES for 9-phenyl-2-pyridin-3-ylpurine is c1ccc(-n2cnc3cnc(-c4cccnc4)nc32)cc1.
What is the InChIKey of 9-phenyl-2-pyridin-3-ylpurine?
The InChIKey is VPZAPUBRYMOGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5/c1-2-6-13(7-3-1)21-11-19-14-10-18-15(20-16(14)21)12-5-4-8-17-9-12/h1-11H.
What are the key properties of 9-phenyl-2-pyridin-3-ylpurine?
9-phenyl-2-pyridin-3-ylpurine has a molecular weight of 273.30 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-2-pyridin-3-ylpurine is sourced from PubChem (CID 67147959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).