8-(2,4-dihydroxyphenyl)-3,7-dihydropurine-2,6-dione

C11H8N4O4 — CID 136903882

IUPAC8-(2,4-dihydroxyphenyl)-3,7-dihydropurine-2,6-dione
SMILESO=c1[nH]c(=O)c2[nH]c(-c3ccc(O)cc3O)nc2[nH]1
InChIInChI=1S/C11H8N4O4/c16-4-1-2-5(6(17)3-4)8-12-7-9(13-8)14-11(19)15-10(7)18/h1-3,16-17H,(H3,12,13,14,15,18,19)
InChIKeyZDDMIGOUAQEUMO-UHFFFAOYSA-N
MW260.21 g/mol
LogP0.02
Rot. Bonds1

About 8-(2,4-dihydroxyphenyl)-3,7-dihydropurine-2,6-dione

8-(2,4-dihydroxyphenyl)-3,7-dihydropurine-2,6-dione (PubChem CID 136903882) has the molecular formula C11H8N4O4 and a molecular weight of 260.21 g/mol. Its IUPAC name is 8-(2,4-dihydroxyphenyl)-3,7-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-(2,4-dihydroxyphenyl)-3,7-dihydropurine-2,6-dione
PubChem CID136903882
Molecular FormulaC11H8N4O4
Molecular Weight260.21 g/mol
Exact Mass260.05
IUPAC Name8-(2,4-dihydroxyphenyl)-3,7-dihydropurine-2,6-dione
SMILESO=c1[nH]c(=O)c2[nH]c(-c3ccc(O)cc3O)nc2[nH]1
InChIInChI=1S/C11H8N4O4/c16-4-1-2-5(6(17)3-4)8-12-7-9(13-8)14-11(19)15-10(7)18/h1-3,16-17H,(H3,12,13,14,15,18,19)
InChIKeyZDDMIGOUAQEUMO-UHFFFAOYSA-N
XLogP0.02
TPSA134.86 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 50.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

8-(2-oxo-1H-quinolin-3-yl)-3,7-dihydropurine-2,6-dione
CID 46186590
8-(4-methylthiophen-3-yl)-3,7-dihydropurine-2,6-dione
CID 114402824
8-(4-methylphenyl)-3,7-dihydropurine-2,6-dione
CID 113229238
8-[4-(methylamino)phenyl]-3,7-dihydropurine-2,6-dione
CID 114402176
8-[(4-hydroxyanilino)methyl]-3,7-dihydropurine-2,6-dione
CID 114402204
8-(3,5-dichlorophenyl)-3,7-dihydropurine-2,6-dione
CID 115600453
8-(2-amino-3-methylphenyl)-3,7-dihydropurine-2,6-dione
CID 114402197
8-(1-benzofuran-3-yl)-3,7-dihydropurine-2,6-dione
CID 115749614
8-[4-(2-hydroxyethylamino)phenyl]-3,7-dihydropurine-2,6-dione
CID 114402276
8-(2,6-dichlorophenyl)-3,7-dihydropurine-2,6-dione
CID 114402874
8-(1-methylpyrazol-3-yl)-3,7-dihydropurine-2,6-dione
CID 136980722
8-(2,3-dihydro-1,4-benzodioxin-5-yl)-3,7-dihydropurine-2,6-dione
CID 114403014

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dihydroxyphenyl)-3,7-dihydropurine-2,6-dione?
The IUPAC name of 8-(2,4-dihydroxyphenyl)-3,7-dihydropurine-2,6-dione (CID 136903882) is 8-(2,4-dihydroxyphenyl)-3,7-dihydropurine-2,6-dione.
What is the SMILES notation for 8-(2,4-dihydroxyphenyl)-3,7-dihydropurine-2,6-dione?
The canonical SMILES for 8-(2,4-dihydroxyphenyl)-3,7-dihydropurine-2,6-dione is O=c1[nH]c(=O)c2[nH]c(-c3ccc(O)cc3O)nc2[nH]1.
What is the InChIKey of 8-(2,4-dihydroxyphenyl)-3,7-dihydropurine-2,6-dione?
The InChIKey is ZDDMIGOUAQEUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O4/c16-4-1-2-5(6(17)3-4)8-12-7-9(13-8)14-11(19)15-10(7)18/h1-3,16-17H,(H3,12,13,14,15,18,19).
What are the key properties of 8-(2,4-dihydroxyphenyl)-3,7-dihydropurine-2,6-dione?
8-(2,4-dihydroxyphenyl)-3,7-dihydropurine-2,6-dione has a molecular weight of 260.21 g/mol, XLogP of 0.02, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dihydroxyphenyl)-3,7-dihydropurine-2,6-dione is sourced from PubChem (CID 136903882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).