9-(3,5-dimethylphenyl)purine

C13H12N4 — CID 20740846

IUPAC9-(3,5-dimethylphenyl)purine
SMILESCc1cc(C)cc(-n2cnc3cncnc32)c1
InChIInChI=1S/C13H12N4/c1-9-3-10(2)5-11(4-9)17-8-16-12-6-14-7-15-13(12)17/h3-8H,1-2H3
InChIKeyCZBPOYOZFXFFRN-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.43
Rot. Bonds1

About 9-(3,5-dimethylphenyl)purine

9-(3,5-dimethylphenyl)purine (PubChem CID 20740846) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 9-(3,5-dimethylphenyl)purine.

Molecular Properties

Compound Name9-(3,5-dimethylphenyl)purine
PubChem CID20740846
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name9-(3,5-dimethylphenyl)purine
SMILESCc1cc(C)cc(-n2cnc3cncnc32)c1
InChIInChI=1S/C13H12N4/c1-9-3-10(2)5-11(4-9)17-8-16-12-6-14-7-15-13(12)17/h3-8H,1-2H3
InChIKeyCZBPOYOZFXFFRN-UHFFFAOYSA-N
XLogP2.43
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dimethylphenyl)purine?
The IUPAC name of 9-(3,5-dimethylphenyl)purine (CID 20740846) is 9-(3,5-dimethylphenyl)purine.
What is the SMILES notation for 9-(3,5-dimethylphenyl)purine?
The canonical SMILES for 9-(3,5-dimethylphenyl)purine is Cc1cc(C)cc(-n2cnc3cncnc32)c1.
What is the InChIKey of 9-(3,5-dimethylphenyl)purine?
The InChIKey is CZBPOYOZFXFFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-9-3-10(2)5-11(4-9)17-8-16-12-6-14-7-15-13(12)17/h3-8H,1-2H3.
What are the key properties of 9-(3,5-dimethylphenyl)purine?
9-(3,5-dimethylphenyl)purine has a molecular weight of 224.27 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-dimethylphenyl)purine is sourced from PubChem (CID 20740846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).