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Chemistry

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Also known as: 31575-35-6, Pyrimidine, 2-fluoro-, 2-fluoro-pyrimidine, Pyrimidine, fluoro-, Fluoropyrimidine, Mfcd08059530

Molecular Formula

C₄H₃FN₂

Molecular Weight

98.08 g/mol

InChI Key

WAVYAFBQOXCGSZ-UHFFFAOYSA-N

Fluoropyrimidine is any fluoropyrimidine-based agent with potential antineoplastic activity. As an antimetabolite, a fluoropyrimidine interferes with pyrimidine utilization and incorporation into DNA and RNA.

1 2D Structure

Fluoropyrimidine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-fluoropyrimidine

2.1.2 InChI

InChI=1S/C4H3FN2/c5-4-6-2-1-3-7-4/h1-3H

2.1.3 InChI Key

WAVYAFBQOXCGSZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CN=C(N=C1)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 31575-35-6

2. Pyrimidine, 2-fluoro-

3. 2-fluoro-pyrimidine

4. Pyrimidine, Fluoro-

5. Fluoropyrimidine

6. Mfcd08059530

7. Pyrimidine,2-fluoro-

8. Amy088

9. Dtxsid40185466

10. Zinc6119128

11. Bbl103780

12. Stl557590

13. Akos005258968

14. Zinc329788201

15. Cs-w018601

16. Sb55512

17. As-57144

18. A820916

19. J-509528

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₄H₃FN₂
Molecular Weight	98.08 g/mol
XLogP3	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	98.02802627 g/mol
Monoisotopic Mass	98.02802627 g/mol
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	51.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1