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Arumel

CAS: 51-21-8 | C4H3FN2O2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 51-21-8
Molecular Formula: C4H3FN2O2
Molecular Weight: 130.078 g/mol

Names and Synonyms:

Arumel
DBL
5-Fluorouracil
2,4(1H,3H)-Pyrimidinedione, 5-fluoro-
Uracil, 5-fluoro-
5-Fluoro-2,4(1H,3H)-pyrimidinedione
NSC 19893
Ro 2-9757
5-Fluorouracil
Fluorouracil
2,4-Dioxo-5-fluoropyrimidine
Efudex
5-FU
Fluracil
Fluril
Fluoroplex
5-Fluoro-2,4-pyrimidinedione
Fluoroblastin
Phtoruracil
Phthoruracil
Fluracilum
Efurix
Queroplex
Kecimeton
Adrucil
Efudix
Carzonal
Ulup
Ftoruracil
U 8953
Timazin
FU
Fluri
5-Fluoracyl
Carac
2,4-Dihydroxy-5-fluoropyrimidine
Fluracedyl
5-Fluoropyrimidine-2,4-diol
Flurablastin
5-Fluoro-1H-pyrimidine-2,4-dione
Fluorouracile Accord
5-Oncouracil
Sigma 03738
5-Fluoro-2,4-dihydroxypyrimidine

Identifiers:

SMILES:
Oc1ncc(F)c(O)n1
InChI:
InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 130.078 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 130.017855556 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 9 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 4 count RDKit
Hydrogen Bond Donors 2 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 0 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 1 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 66.24000000000001 Ų RDKit

Physical Properties

Property Value Source
LogP 0.026899999999999757 RDKit
molecular_mass 130.08 g/mol Legacy Database
cas-canonical-smile O=C1NC=C(F)C(=O)N1 None Legacy Database
cas-inchi InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9) None Legacy Database
cas-inchi-key InChIKey=GHASVSINZRGABV-UHFFFAOYSA-N None Legacy Database
cas-melting-point 282 °C (decomp) None Legacy Database
cas-name 5-Fluorouracil None Legacy Database

Molar

Property Value Source
Molar Refractivity 25.319599999999998 RDKit

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