7-hydroxy-8-phenyl-3H-purine-2,6-dione

C11H8N4O3 — CID 12933240

IUPAC7-hydroxy-8-phenyl-3H-purine-2,6-dione
SMILESO=c1[nH]c(=O)c2c(nc(-c3ccccc3)n2O)[nH]1
InChIInChI=1S/C11H8N4O3/c16-10-7-8(13-11(17)14-10)12-9(15(7)18)6-4-2-1-3-5-6/h1-5,18H,(H2,13,14,16,17)
InChIKeyBDFUPGOBBUGQJR-UHFFFAOYSA-N
MW244.21 g/mol
LogP0.32
Rot. Bonds1

About 7-hydroxy-8-phenyl-3H-purine-2,6-dione

7-hydroxy-8-phenyl-3H-purine-2,6-dione (PubChem CID 12933240) has the molecular formula C11H8N4O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is 7-hydroxy-8-phenyl-3H-purine-2,6-dione.

Molecular Properties

Compound Name7-hydroxy-8-phenyl-3H-purine-2,6-dione
PubChem CID12933240
Molecular FormulaC11H8N4O3
Molecular Weight244.21 g/mol
Exact Mass244.06
IUPAC Name7-hydroxy-8-phenyl-3H-purine-2,6-dione
SMILESO=c1[nH]c(=O)c2c(nc(-c3ccccc3)n2O)[nH]1
InChIInChI=1S/C11H8N4O3/c16-10-7-8(13-11(17)14-10)12-9(15(7)18)6-4-2-1-3-5-6/h1-5,18H,(H2,13,14,16,17)
InChIKeyBDFUPGOBBUGQJR-UHFFFAOYSA-N
XLogP0.32
TPSA103.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-methyl-8-[(E)-2-phenylethenyl]-3H-purine-2,6-dione
CID 11550746
4-hydroxy-3,5-diphenyl-1,2,4-triazole
CID 14382453
3-phenyl-4H-[1,2]oxazolo[4,5-d]pyrimidine-5,7-dione
CID 134908518
1-hydroxy-2-phenylbenzimidazole
CID 606555
8-benzyl-3,7-dihydropurine-2,6-dione
CID 18435695
1H-benzo[g]pteridine-2,4-dione
CID 5372720
2-amino-7-hydroxy-1-phenyl-9H-purine-6,8-dione
CID 18792589
1-hydroxy-4-oxo-2-phenylpyrimidine-5-carboxylic acid
CID 174849997
1,1'-biphenyl;7,9-dihydro-3H-purine-2,6,8-trione
CID 174945142
5,7-dimethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135708002
8-[hydroxy(phenyl)methyl]-3,7-dihydropurine-2,6-dione
CID 114402810
5-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 24560242

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-phenyl-3H-purine-2,6-dione?
The IUPAC name of 7-hydroxy-8-phenyl-3H-purine-2,6-dione (CID 12933240) is 7-hydroxy-8-phenyl-3H-purine-2,6-dione.
What is the SMILES notation for 7-hydroxy-8-phenyl-3H-purine-2,6-dione?
The canonical SMILES for 7-hydroxy-8-phenyl-3H-purine-2,6-dione is O=c1[nH]c(=O)c2c(nc(-c3ccccc3)n2O)[nH]1.
What is the InChIKey of 7-hydroxy-8-phenyl-3H-purine-2,6-dione?
The InChIKey is BDFUPGOBBUGQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O3/c16-10-7-8(13-11(17)14-10)12-9(15(7)18)6-4-2-1-3-5-6/h1-5,18H,(H2,13,14,16,17).
What are the key properties of 7-hydroxy-8-phenyl-3H-purine-2,6-dione?
7-hydroxy-8-phenyl-3H-purine-2,6-dione has a molecular weight of 244.21 g/mol, XLogP of 0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-phenyl-3H-purine-2,6-dione is sourced from PubChem (CID 12933240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).