4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one (CED0314794)

Record Information

Version

1.0

Creation Date

2026-09-01 15:08:40 UTC

Update Date

2026-09-01 15:08:40 UTC

Accession Number

CHEM360718

Identification

Common Name

4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

Class

Small Molecule

Description

4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one is a compound with the formula C9H12FN3O3. It has an average molecular weight of 229.21 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₁₂FN₃O₃

Average Molecular Mass

Not Available

Monoisotopic Mass

229.086 g/mol

CAS Registry Number

106908-12-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C1CC(OC1CO)N2C=C(C(=NC2=O)N)F

InChI Identifier

InChI=1S/C9H12FN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h3,5,7,14H,1-2,4H2,(H2,11,12,15)

InChI Key

QBEIABZPRBJOFU-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-004i-9410000000-cfa0332d389cc64b82be	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0fbi-9623000000-453fbe04ccaa1e01e071	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0900000000-9b5eefb8dfe9f68006d0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0900000000-aa5c890f72ac4ab4c488	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0gxc-6900000000-bdc4d26410087d75b600	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-0590000000-b07bddb859caa8c303f0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01ri-3930000000-8dad25ac1591bf33a0c2	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9500000000-d58e9da864cd76b80855	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-0090000000-08dd19e0b1e7698891db	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0fbc-4920000000-e113213a923464a39e24	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9600000000-62c50d6416f63cf49692	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0590000000-7eb34ce77edafa4d8e76	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001r-6910000000-1756effe4e3c03750dca	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03l0-9700000000-477dd097456a0b3cd699	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
1838.0	Log mg/kg	[1000:3300]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
10	Insecticides	Agriculture & land management	Not Available
518	Electrically Stimulated Smoking Devices	Electrical & Electronic Equipment	Not Available
603	Nematocides	Agriculture & land management	Not Available
630	Toys	Recreation & sports surfaces	Not Available
696	Nanotechnology	Industrial manufacturing & chemical processing	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Reverse transcriptase/RNaseH	Q72547	Human immunodeficiency virus 1	Predicted (SEA)	14.7914
Click to view 3D structure	Calmodulin-like protein 3	P27482	Humans	Predicted (SEA)	3.81461
Click to view 3D structure	Genome polyprotein	P03300	Poliovirus type 1 (strain Mahoney)	Predicted (SEA)	13.3122
Click to view 3D structure	Thymidylate synthase ThyA	P9WFR9	Mycobacterium tuberculosis	Predicted (SEA)	5.52729
Click to view 3D structure	Thymidine kinase, cytosolic	P04183	Humans	Predicted (SEA)	4.28171
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	1006.12
Click to view 3D structure	Adenosine receptor A1	P25099	Rattus norvegicus	Predicted (SEA)	500.415
Click to view 3D structure	Adenosine kinase	A5U4N0	Mycobacterium tuberculosis (strain ATCC 25177 / H37Ra)	Predicted (SEA)	35.6549
Click to view 3D structure	Thymidine kinase	P0C0E6	HHV-3	Predicted (SEA)	14.1686
Click to view 3D structure	C-X-C chemokine receptor type 4	P61073	Humans	Predicted (SEA)	65.1598
Click to view 3D structure	Adenosine receptor A2a	P30543	Rattus norvegicus	Predicted (SEA)	513.493
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	813.291
Click to view 3D structure	Thymidine kinase 2	D3ZGQ2	Rattus norvegicus	Predicted (SEA)	17.049
Click to view 3D structure	DNA polymerase beta	P06746	Humans	Predicted (SEA)	11.5995
Click to view 3D structure	Adenosine kinase	P55263	Humans	Predicted (SEA)	101.048
Click to view 3D structure	Adenosine receptor A2a	P29274	Humans	Predicted (SEA)	1262.17
Click to view 3D structure	CD99 antigen	P14209	Humans	Predicted (SEA)	38.3018
Click to view 3D structure	Thymidine kinase	P09250	HHV-3	Predicted (SEA)	13.7793
Click to view 3D structure	DNA (cytosine-5)-methyltransferase 1	P26358	Humans	Predicted (SEA)	625.363
Click to view 3D structure	Thymidine kinase	P06479	Human herpesvirus 1 (strain SC16) (HHV-1) (Human herpes simplex virus1)	Predicted (SEA)	7.78492
Click to view 3D structure	Adenosine receptor A3	P28647	Rattus norvegicus	Predicted (SEA)	259.705
Click to view 3D structure	Cytidine deaminase	P32320	Humans	Predicted (SEA)	21.0193
Click to view 3D structure	Fibroblast growth factor receptor 1	P11362	Humans	Predicted (SEA)	4491.12
Click to view 3D structure	DNA polymerase subunit gamma-1	P54098	Humans	Predicted (SEA)	9.73115
Click to view 3D structure	Thymidylate kinase	P9WKE1	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	7.08428