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5-Fluoro-2-ethoxy-4(1H)pyrimidinone - 97%, high purity , CAS No.56177-80-1

COA

Grade & Purity:

≥97%

Cas Number: 56177-80-1
Molecular Weight: 158.13
PubChem CID: 92041
PubChem SID: 504756098

In stock

Item Number

F170997

Grouped product items
SKU	Size	Availability	Price
F170997-5g	5g	2	$68.90
F170997-25g	25g	2	$265.90
F170997-100g	100g	1	$954.90

Basic Description

Synonyms	Tox21_113748 \| DTXSID8057776 \| EINECS 260-029-1 \| 2-ethoxy-5-fluoranyl-1H-pyrimidin-6-one \| 2-ETHOXY-5-FLUORO-4-HYDROXYPYRIMIDINE \| FLUCYTOSINE IMPURITY B [EP IMPURITY] \| FT-0640361 \| Spectrum_000502 \| UNII-15FS54053U \| SY057892 \| 5-Fluoro-2-ethoxy-4-pyri
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Protected from light
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Halopyrimidines
Alternative Parents	Pyrimidones Alkyl aryl ethers Hydropyrimidines Aryl fluorides Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Alkyl aryl ether - Halopyrimidine - Pyrimidone - Aryl fluoride - Aryl halide - Hydropyrimidine - Heteroaromatic compound - Lactam - Ether - Azacycle - Organic nitrogen compound - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504756098
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756098
IUPAC Name	2-ethoxy-5-fluoro-1H-pyrimidin-6-one
INCHI	InChI=1S/C6H7FN2O2/c1-2-11-6-8-3-4(7)5(10)9-6/h3H,2H2,1H3,(H,8,9,10)
InChIKey	XREDGJFKPWBNRQ-UHFFFAOYSA-N
Smiles	CCOC1=NC=C(C(=O)N1)F
Isomeric SMILES	CCOC1=NC=C(C(=O)N1)F
WGK Germany	3
PubChem CID	92041
Molecular Weight	158.13
Reaxy-Rn	5510602

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
J2323325	Certificate of Analysis	Sep 15, 2023	F170997
J2323305	Certificate of Analysis	Sep 15, 2023	F170997
J2323326	Certificate of Analysis	Sep 15, 2023	F170997
J2323328	Certificate of Analysis	Sep 15, 2023	F170997
J2323343	Certificate of Analysis	Sep 15, 2023	F170997
J2323327	Certificate of Analysis	Sep 15, 2023	F170997

Chemical and Physical Properties

Solubility	DMSO (Slightly), Methanol (Slightly)
Sensitivity	light sensitive
Melt Point(°C)	178-179°C
Molecular Weight	158.130 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	158.049 Da
Monoisotopic Mass	158.049 Da
Topological Polar Surface Area	50.700 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	235.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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