4-hydroxy-1H-pyrimidin-6-one

C4H4N2O2 — CID 14512

IUPAC4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc[nH]1
InChIInChI=1S/C4H4N2O2/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8)
InChIKeyDUFGYCAXVIUXIP-UHFFFAOYSA-N
MW112.09 g/mol
LogP-0.52
Rot. Bonds

About 4-hydroxy-1H-pyrimidin-6-one

4-hydroxy-1H-pyrimidin-6-one (PubChem CID 14512) has the molecular formula C4H4N2O2 and a molecular weight of 112.09 g/mol. Its IUPAC name is 4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-1H-pyrimidin-6-one
PubChem CID14512
Molecular FormulaC4H4N2O2
Molecular Weight112.09 g/mol
Exact Mass112.03
IUPAC Name4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc[nH]1
InChIInChI=1S/C4H4N2O2/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8)
InChIKeyDUFGYCAXVIUXIP-UHFFFAOYSA-N
XLogP-0.52
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-1H-pyrimidin-6-one (CID 14512) is 4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc[nH]1.
What is the InChIKey of 4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is DUFGYCAXVIUXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8).
What are the key properties of 4-hydroxy-1H-pyrimidin-6-one?
4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 112.09 g/mol, XLogP of -0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 14512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).