3,4,8,9-tetrahydropurine-2,6-dione

C5H6N4O2 — CID 68954885

IUPAC3,4,8,9-tetrahydropurine-2,6-dione
SMILESO=C1NC(=O)C2=NCNC2N1
InChIInChI=1S/C5H6N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h3,7H,1H2,(H2,8,9,10,11)
InChIKeyGDNTXIHBWIRPMT-UHFFFAOYSA-N
MW154.13 g/mol
LogP-1.85
Rot. Bonds

About 3,4,8,9-tetrahydropurine-2,6-dione

3,4,8,9-tetrahydropurine-2,6-dione (PubChem CID 68954885) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is 3,4,8,9-tetrahydropurine-2,6-dione.

Molecular Properties

Compound Name3,4,8,9-tetrahydropurine-2,6-dione
PubChem CID68954885
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Name3,4,8,9-tetrahydropurine-2,6-dione
SMILESO=C1NC(=O)C2=NCNC2N1
InChIInChI=1S/C5H6N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h3,7H,1H2,(H2,8,9,10,11)
InChIKeyGDNTXIHBWIRPMT-UHFFFAOYSA-N
XLogP-1.85
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-1.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Dihydrouric acid
CID 5315130
Dihydro-1h-purine-2,6-dione
CID 20088927
5-Diazohexahydropyrimidine-2,4-dione
CID 381330
Methyldihydrouric acid
CID 23617137
d6-Methylguanine
CID 129677008
Uric acid-d3
CID 168433336
lithium 4,9-dihydro-3H-purin-1-ide-2,6,8-trione
CID 73555205
5-Diazo-1,3-diazinane-2,4-dione;hydrate
CID 20326442
1,2,3,4-Tetrahydropurin-6-one
CID 69438832
5-Imino-1,3-diazinane-2,4-dione
CID 91071412
1,2,3,4-Tetrahydropurin-6-one;hydrochloride
CID 140077904
1-Propyl-3,4-dihydropurine-2,6-dione
CID 141216690

Frequently Asked Questions

What is the IUPAC name of 3,4,8,9-tetrahydropurine-2,6-dione?
The IUPAC name of 3,4,8,9-tetrahydropurine-2,6-dione (CID 68954885) is 3,4,8,9-tetrahydropurine-2,6-dione.
What is the SMILES notation for 3,4,8,9-tetrahydropurine-2,6-dione?
The canonical SMILES for 3,4,8,9-tetrahydropurine-2,6-dione is O=C1NC(=O)C2=NCNC2N1.
What is the InChIKey of 3,4,8,9-tetrahydropurine-2,6-dione?
The InChIKey is GDNTXIHBWIRPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h3,7H,1H2,(H2,8,9,10,11).
What are the key properties of 3,4,8,9-tetrahydropurine-2,6-dione?
3,4,8,9-tetrahydropurine-2,6-dione has a molecular weight of 154.13 g/mol, XLogP of -1.85, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,8,9-tetrahydropurine-2,6-dione is sourced from PubChem (CID 68954885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).