6-hydroxy-1H-pyrimidine-2,4-dione

C4H4N2O3 — CID 513624

IUPAC6-hydroxy-1H-pyrimidine-2,4-dione
SMILESO=c1cc(O)[nH]c(=O)[nH]1
InChIInChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H,(H3,5,6,7,8,9)
InChIKeyGWEJPUMJAQFCBN-UHFFFAOYSA-N
MW128.09 g/mol
LogP-1.23
Rot. Bonds

About 6-hydroxy-1H-pyrimidine-2,4-dione

6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 513624) has the molecular formula C4H4N2O3 and a molecular weight of 128.09 g/mol. Its IUPAC name is 6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID513624
Molecular FormulaC4H4N2O3
Molecular Weight128.09 g/mol
Exact Mass128.02
IUPAC Name6-hydroxy-1H-pyrimidine-2,4-dione
SMILESO=c1cc(O)[nH]c(=O)[nH]1
InChIInChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H,(H3,5,6,7,8,9)
InChIKeyGWEJPUMJAQFCBN-UHFFFAOYSA-N
XLogP-1.23
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.09
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1H-pyrimidine-2,4-dione (CID 513624) is 6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1H-pyrimidine-2,4-dione is O=c1cc(O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is GWEJPUMJAQFCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H,(H3,5,6,7,8,9).
What are the key properties of 6-hydroxy-1H-pyrimidine-2,4-dione?
6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 128.09 g/mol, XLogP of -1.23, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 513624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).