1-hydroxypyrimidin-4-one

C4H4N2O2 — CID 21259822

IUPAC1-hydroxypyrimidin-4-one
SMILESO=c1ccn(O)cn1
InChIInChI=1S/C4H4N2O2/c7-4-1-2-6(8)3-5-4/h1-3,8H
InChIKeyZBBCMFUNRBNAMI-UHFFFAOYSA-N
MW112.09 g/mol
LogP-0.52
Rot. Bonds

About 1-hydroxypyrimidin-4-one

1-hydroxypyrimidin-4-one (PubChem CID 21259822) has the molecular formula C4H4N2O2 and a molecular weight of 112.09 g/mol. Its IUPAC name is 1-hydroxypyrimidin-4-one.

Molecular Properties

Compound Name1-hydroxypyrimidin-4-one
PubChem CID21259822
Molecular FormulaC4H4N2O2
Molecular Weight112.09 g/mol
Exact Mass112.03
IUPAC Name1-hydroxypyrimidin-4-one
SMILESO=c1ccn(O)cn1
InChIInChI=1S/C4H4N2O2/c7-4-1-2-6(8)3-5-4/h1-3,8H
InChIKeyZBBCMFUNRBNAMI-UHFFFAOYSA-N
XLogP-0.52
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxypyrimidin-4-one?
The IUPAC name of 1-hydroxypyrimidin-4-one (CID 21259822) is 1-hydroxypyrimidin-4-one.
What is the SMILES notation for 1-hydroxypyrimidin-4-one?
The canonical SMILES for 1-hydroxypyrimidin-4-one is O=c1ccn(O)cn1.
What is the InChIKey of 1-hydroxypyrimidin-4-one?
The InChIKey is ZBBCMFUNRBNAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2/c7-4-1-2-6(8)3-5-4/h1-3,8H.
What are the key properties of 1-hydroxypyrimidin-4-one?
1-hydroxypyrimidin-4-one has a molecular weight of 112.09 g/mol, XLogP of -0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrimidin-4-one is sourced from PubChem (CID 21259822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).