8-hydroxy-3,7,8,9-tetrahydropurine-2,6-dione

C5H6N4O3 — CID 89409733

IUPAC8-hydroxy-3,7,8,9-tetrahydropurine-2,6-dione
SMILESO=c1[nH]c2c(c(=O)[nH]1)NC(O)N2
InChIInChI=1S/C5H6N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h4,6,11H,(H3,7,8,9,10,12)
InChIKeyKYKVXIJTQOYZLY-UHFFFAOYSA-N
MW170.13 g/mol
LogP-1.82
Rot. Bonds

About 8-hydroxy-3,7,8,9-tetrahydropurine-2,6-dione

8-hydroxy-3,7,8,9-tetrahydropurine-2,6-dione (PubChem CID 89409733) has the molecular formula C5H6N4O3 and a molecular weight of 170.13 g/mol. Its IUPAC name is 8-hydroxy-3,7,8,9-tetrahydropurine-2,6-dione.

Molecular Properties

Compound Name8-hydroxy-3,7,8,9-tetrahydropurine-2,6-dione
PubChem CID89409733
Molecular FormulaC5H6N4O3
Molecular Weight170.13 g/mol
Exact Mass170.04
IUPAC Name8-hydroxy-3,7,8,9-tetrahydropurine-2,6-dione
SMILESO=c1[nH]c2c(c(=O)[nH]1)NC(O)N2
InChIInChI=1S/C5H6N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h4,6,11H,(H3,7,8,9,10,12)
InChIKeyKYKVXIJTQOYZLY-UHFFFAOYSA-N
XLogP-1.82
TPSA110.01 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 5-1.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-3,7,8,9-tetrahydropurine-2,6-dione?
The IUPAC name of 8-hydroxy-3,7,8,9-tetrahydropurine-2,6-dione (CID 89409733) is 8-hydroxy-3,7,8,9-tetrahydropurine-2,6-dione.
What is the SMILES notation for 8-hydroxy-3,7,8,9-tetrahydropurine-2,6-dione?
The canonical SMILES for 8-hydroxy-3,7,8,9-tetrahydropurine-2,6-dione is O=c1[nH]c2c(c(=O)[nH]1)NC(O)N2.
What is the InChIKey of 8-hydroxy-3,7,8,9-tetrahydropurine-2,6-dione?
The InChIKey is KYKVXIJTQOYZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h4,6,11H,(H3,7,8,9,10,12).
What are the key properties of 8-hydroxy-3,7,8,9-tetrahydropurine-2,6-dione?
8-hydroxy-3,7,8,9-tetrahydropurine-2,6-dione has a molecular weight of 170.13 g/mol, XLogP of -1.82, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-3,7,8,9-tetrahydropurine-2,6-dione is sourced from PubChem (CID 89409733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).