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

C4H4FN3O2 — CID 55287775

IUPAC6-amino-5-fluoro-1-hydroxypyrimidin-2-one
SMILESNc1c(F)cnc(=O)n1O
InChIInChI=1S/C4H4FN3O2/c5-2-1-7-4(9)8(10)3(2)6/h1,10H,6H2
InChIKeyZPMDSQADRXVVLY-UHFFFAOYSA-N
MW145.09 g/mol
LogP-0.80
Rot. Bonds

About 6-amino-5-fluoro-1-hydroxypyrimidin-2-one

6-amino-5-fluoro-1-hydroxypyrimidin-2-one (PubChem CID 55287775) has the molecular formula C4H4FN3O2 and a molecular weight of 145.09 g/mol. Its IUPAC name is 6-amino-5-fluoro-1-hydroxypyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-fluoro-1-hydroxypyrimidin-2-one
PubChem CID55287775
Molecular FormulaC4H4FN3O2
Molecular Weight145.09 g/mol
Exact Mass145.03
IUPAC Name6-amino-5-fluoro-1-hydroxypyrimidin-2-one
SMILESNc1c(F)cnc(=O)n1O
InChIInChI=1S/C4H4FN3O2/c5-2-1-7-4(9)8(10)3(2)6/h1,10H,6H2
InChIKeyZPMDSQADRXVVLY-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'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-fluoro-1-hydroxypyrimidin-2-one?
The IUPAC name of 6-amino-5-fluoro-1-hydroxypyrimidin-2-one (CID 55287775) is 6-amino-5-fluoro-1-hydroxypyrimidin-2-one.
What is the SMILES notation for 6-amino-5-fluoro-1-hydroxypyrimidin-2-one?
The canonical SMILES for 6-amino-5-fluoro-1-hydroxypyrimidin-2-one is Nc1c(F)cnc(=O)n1O.
What is the InChIKey of 6-amino-5-fluoro-1-hydroxypyrimidin-2-one?
The InChIKey is ZPMDSQADRXVVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FN3O2/c5-2-1-7-4(9)8(10)3(2)6/h1,10H,6H2.
What are the key properties of 6-amino-5-fluoro-1-hydroxypyrimidin-2-one?
6-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 6-amino-5-fluoro-1-hydroxypyrimidin-2-one is sourced from PubChem (CID 55287775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).