8-hydroxy-3,4,5,7,8,9-hexahydropurine-2,6-dione

C5H8N4O3 — CID 75275021

IUPAC8-hydroxy-3,4,5,7,8,9-hexahydropurine-2,6-dione
SMILESO=C1NC(=O)C2NC(O)NC2N1
InChIInChI=1S/C5H8N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h1-2,4,6-7,11H,(H2,8,9,10,12)
InChIKeyKTFXSWNYSOZVOL-UHFFFAOYSA-N
MW172.14 g/mol
LogP-3.01
Rot. Bonds

About 8-hydroxy-3,4,5,7,8,9-hexahydropurine-2,6-dione

8-hydroxy-3,4,5,7,8,9-hexahydropurine-2,6-dione (PubChem CID 75275021) has the molecular formula C5H8N4O3 and a molecular weight of 172.14 g/mol. Its IUPAC name is 8-hydroxy-3,4,5,7,8,9-hexahydropurine-2,6-dione.

Molecular Properties

Compound Name8-hydroxy-3,4,5,7,8,9-hexahydropurine-2,6-dione
PubChem CID75275021
Molecular FormulaC5H8N4O3
Molecular Weight172.14 g/mol
Exact Mass172.06
IUPAC Name8-hydroxy-3,4,5,7,8,9-hexahydropurine-2,6-dione
SMILESO=C1NC(=O)C2NC(O)NC2N1
InChIInChI=1S/C5H8N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h1-2,4,6-7,11H,(H2,8,9,10,12)
InChIKeyKTFXSWNYSOZVOL-UHFFFAOYSA-N
XLogP-3.01
TPSA102.49 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-3.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

4,5,7,9-tetrahydro-3H-purine-2,6,8-trione
CID 15773209
(4R,5R)-4,5,7,9-tetrahydro-3H-purine-2,6,8-trione
CID 24884185
(5S)-5-hydroxyimidazolidine-2,4-dione
CID 40649061
(4aS,7S,8aS)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-pteridine-2,4-dione
CID 92759363
8-(dimethylamino)-4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione
CID 78389293
1,3,3a,4,6,6a-hexahydro(213C)imidazolo[4,5-d](213C)imidazole-2,5-dione
CID 23626358
6-hydroxy-5-[(4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)diazenyl]-1,3-diazinane-2,4-dione;nickel
CID 122130287
3,5,9,11-tetrazatricyclo[6.4.0.02,7]dodecane-4,6,10,12-tetrone
CID 101425559
(5R)-5-[(2S)-pyrrolidin-2-yl]imidazolidine-2,4-dione
CID 66907470
(4S,5S)-3,4,5,7-tetrahydropurine-2,6-dione
CID 42427324
5-(hydroxymethyl)-1,3-diazinane-2,4,6-trione
CID 141227238
5-(1-hydroxy-2-methylpropyl)imidazolidine-2,4-dione
CID 67857556

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-3,4,5,7,8,9-hexahydropurine-2,6-dione?
The IUPAC name of 8-hydroxy-3,4,5,7,8,9-hexahydropurine-2,6-dione (CID 75275021) is 8-hydroxy-3,4,5,7,8,9-hexahydropurine-2,6-dione.
What is the SMILES notation for 8-hydroxy-3,4,5,7,8,9-hexahydropurine-2,6-dione?
The canonical SMILES for 8-hydroxy-3,4,5,7,8,9-hexahydropurine-2,6-dione is O=C1NC(=O)C2NC(O)NC2N1.
What is the InChIKey of 8-hydroxy-3,4,5,7,8,9-hexahydropurine-2,6-dione?
The InChIKey is KTFXSWNYSOZVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h1-2,4,6-7,11H,(H2,8,9,10,12).
What are the key properties of 8-hydroxy-3,4,5,7,8,9-hexahydropurine-2,6-dione?
8-hydroxy-3,4,5,7,8,9-hexahydropurine-2,6-dione has a molecular weight of 172.14 g/mol, XLogP of -3.01, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-3,4,5,7,8,9-hexahydropurine-2,6-dione is sourced from PubChem (CID 75275021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).