3,9-diphenylpurine-2,6-dione

C17H12N4O2 — CID 142636017

IUPAC3,9-diphenylpurine-2,6-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2)c2c1ncn2-c1ccccc1
InChIInChI=1S/C17H12N4O2/c22-15-14-16(20(11-18-14)12-7-3-1-4-8-12)21(17(23)19-15)13-9-5-2-6-10-13/h1-11H,(H,19,22,23)
InChIKeyZJJQDQHTUDFTRH-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.86
Rot. Bonds2

About 3,9-diphenylpurine-2,6-dione

3,9-diphenylpurine-2,6-dione (PubChem CID 142636017) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 3,9-diphenylpurine-2,6-dione.

Molecular Properties

Compound Name3,9-diphenylpurine-2,6-dione
PubChem CID142636017
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name3,9-diphenylpurine-2,6-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2)c2c1ncn2-c1ccccc1
InChIInChI=1S/C17H12N4O2/c22-15-14-16(20(11-18-14)12-7-3-1-4-8-12)21(17(23)19-15)13-9-5-2-6-10-13/h1-11H,(H,19,22,23)
InChIKeyZJJQDQHTUDFTRH-UHFFFAOYSA-N
XLogP1.86
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-phenyl-2-sulfanylidene-3H-purin-6-one
CID 172838575
3-(4-chlorophenyl)-9-propylpurine-2,6-dione
CID 69303852
tert-butyl 2-[methyl-(6-oxo-9-phenyl-1H-purin-2-yl)amino]acetate
CID 136991267
9-benzyl-3-ethylpurine-2,6-dione
CID 174396588
6-hydroxy-1-phenyl-5-[(E)-1,2,4-triazol-4-yliminomethyl]pyrimidine-2,4-dione
CID 135477983
9-phenyl-3,7-dihydropurine-2,8-dione
CID 22923587
8-amino-3-phenylquinazolin-4-one
CID 90152792
9-ethynyl-3-methylpurine-2,6-dione
CID 70142897
1-phenylbenzimidazol-4-olate
CID 22090442
2,6-dioxo-3-phenyl-7H-purine-8-sulfonic acid
CID 130302539
6-(3,4-dimethoxyphenyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 110171949
1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-dione
CID 154294486

Frequently Asked Questions

What is the IUPAC name of 3,9-diphenylpurine-2,6-dione?
The IUPAC name of 3,9-diphenylpurine-2,6-dione (CID 142636017) is 3,9-diphenylpurine-2,6-dione.
What is the SMILES notation for 3,9-diphenylpurine-2,6-dione?
The canonical SMILES for 3,9-diphenylpurine-2,6-dione is O=c1[nH]c(=O)n(-c2ccccc2)c2c1ncn2-c1ccccc1.
What is the InChIKey of 3,9-diphenylpurine-2,6-dione?
The InChIKey is ZJJQDQHTUDFTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c22-15-14-16(20(11-18-14)12-7-3-1-4-8-12)21(17(23)19-15)13-9-5-2-6-10-13/h1-11H,(H,19,22,23).
What are the key properties of 3,9-diphenylpurine-2,6-dione?
3,9-diphenylpurine-2,6-dione has a molecular weight of 304.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diphenylpurine-2,6-dione is sourced from PubChem (CID 142636017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).