4-amino-5-fluoro-1-hydroxypyrimidin-2-one

C4H4FN3O2 — CID 122543927

IUPAC4-amino-5-fluoro-1-hydroxypyrimidin-2-one
SMILESNc1nc(=O)n(O)cc1F
InChIInChI=1S/C4H4FN3O2/c5-2-1-8(10)4(9)7-3(2)6/h1,10H,(H2,6,7,9)
InChIKeyZRZQTWYENLEMCY-UHFFFAOYSA-N
MW145.09 g/mol
LogP-0.80
Rot. Bonds

About 4-amino-5-fluoro-1-hydroxypyrimidin-2-one

4-amino-5-fluoro-1-hydroxypyrimidin-2-one (PubChem CID 122543927) has the molecular formula C4H4FN3O2 and a molecular weight of 145.09 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-hydroxypyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-hydroxypyrimidin-2-one
PubChem CID122543927
Molecular FormulaC4H4FN3O2
Molecular Weight145.09 g/mol
Exact Mass145.03
IUPAC Name4-amino-5-fluoro-1-hydroxypyrimidin-2-one
SMILESNc1nc(=O)n(O)cc1F
InChIInChI=1S/C4H4FN3O2/c5-2-1-8(10)4(9)7-3(2)6/h1,10H,(H2,6,7,9)
InChIKeyZRZQTWYENLEMCY-UHFFFAOYSA-N
XLogP-0.80
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.09
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-5-fluoro-1-hydroxypyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-5-fluoro-1-methylpyrimidin-2(1H)-one
CID 255391
4-Amino-1-hydroxypyrimidin-2-one
CID 352975
5-Methylhydroxycytosine
CID 89955786
5-Fluorocytosinium chloride
CID 129868419
4-amino-5-fluoro-1-vinylpyrimidin-2(1H)-one
CID 25023306
4-Amino-5-fluoro-1-iodopyrimidin-2-one
CID 126717548
4-Amino-5-fluoro-1-(hydroxymethyl)pyrimidin-2-one
CID 129935371
4-Amino-1-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxy-5-fluoropyrimidin-2-one
CID 174429732
4-Amino-5-fluoro-2-oxopyrimidine-1-carboxamide
CID 174607105
4-Amino-5-fluoropyrimidin-1-id-2-one;rutherfordium
CID 57957639
4-Amino-1-chloro-5-fluoropyrimidin-2-one;hydrate
CID 88525413
4-Amino-5-fluoro-1-methylpyrimidin-2-one;ethane
CID 141991940

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-hydroxypyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-hydroxypyrimidin-2-one (CID 122543927) is 4-amino-5-fluoro-1-hydroxypyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-hydroxypyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-hydroxypyrimidin-2-one is Nc1nc(=O)n(O)cc1F.
What is the InChIKey of 4-amino-5-fluoro-1-hydroxypyrimidin-2-one?
The InChIKey is ZRZQTWYENLEMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FN3O2/c5-2-1-8(10)4(9)7-3(2)6/h1,10H,(H2,6,7,9).
What are the key properties of 4-amino-5-fluoro-1-hydroxypyrimidin-2-one?
4-amino-5-fluoro-1-hydroxypyrimidin-2-one has a molecular weight of 145.09 g/mol, XLogP of -0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-hydroxypyrimidin-2-one is sourced from PubChem (CID 122543927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).