5-Fluoro-2-ethoxy-4(1H)pyrimidinone - CAS 56177-80-1
Catalog: |
BB029284 |
Product Name: |
5-Fluoro-2-ethoxy-4(1H)pyrimidinone |
CAS: |
56177-80-1 |
Synonyms: |
2-ethoxy-5-fluoro-1H-pyrimidin-6-one |
Application: |
Ethoxy-5-fluoro-4(3H)-pyrimidinone (Fluorouracil EP Impurity F) is a derivative of 5-fluorouracil (3C,15N2 labelled, F596002) which is a potent antineoplastic agent in clinical use. |
IUPAC Name: | 2-ethoxy-5-fluoro-1H-pyrimidin-6-one |
Description: | Fluorouracil Impurity F is a derivative of 5-fluorouracil. |
Molecular Weight: | 158.13 |
Molecular Formula: | C6H7FN2O2 |
Canonical SMILES: | CCOC1=NC=C(C(=O)N1)F |
InChI: | InChI=1S/C6H7FN2O2/c1-2-11-6-8-3-4(7)5(10)9-6/h3H,2H2,1H3,(H,8,9,10) |
InChI Key: | XREDGJFKPWBNRQ-UHFFFAOYSA-N |
Boiling Point: | 269.7 °C at 760 mmHg |
Melting Point: | 180-184 °C |
Purity: | > 95 % |
Density: | 1.36 g/cm3 |
Appearance: | White to tan powder or crystals |
MDL: | MFCD03427213 |
LogP: | 0.30770 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113009014-A | High performance liquid detection method for 2-methoxy-5-fluorouracil impurity | 20210224 |
CN-112028838-A | Preparation method of 2-ethoxy-5-fluorouracil impurity | 20200804 |
JP-2005126389-A | Process for producing 2,4-dichloro-5-fluoropyrimidine | 20031027 |
KR-810000292-B1 | Method for preparing 5-fluorouracil ether derivative | 19800424 |
GB-1461184-A | Process for the manufacture of 5-fluorocytosine | 19730907 |
Complexity: | 235 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.04915563 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.04915563 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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