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2D Structure
Also known as: 18592-13-7, 6-(chloromethyl)pyrimidine-2,4(1h,3h)-dione, 6-chloromethyluracil, 2,4(1h,3h)-pyrimidinedione, 6-(chloromethyl)-, 6-(chloromethyl)-1h-pyrimidine-2,4-dione, Mfcd00010095
Molecular Formula
C5H5ClN2O2
Molecular Weight
160.56  g/mol
InChI Key
VCFXBAPEXBTNEA-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-(chloromethyl)-1H-pyrimidine-2,4-dione
2.1.2 InChI
InChI=1S/C5H5ClN2O2/c6-2-3-1-4(9)8-5(10)7-3/h1H,2H2,(H2,7,8,9,10)
2.1.3 InChI Key
VCFXBAPEXBTNEA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C(NC(=O)NC1=O)CCl
2.2 Synonyms
2.2.1 MeSH Synonyms

1. 4-(chloromethyl)uracil

2. 4-chloromethyluracil

2.2.2 Depositor-Supplied Synonyms

1. 18592-13-7

2. 6-(chloromethyl)pyrimidine-2,4(1h,3h)-dione

3. 6-chloromethyluracil

4. 2,4(1h,3h)-pyrimidinedione, 6-(chloromethyl)-

5. 6-(chloromethyl)-1h-pyrimidine-2,4-dione

6. Mfcd00010095

7. 6-(chloromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

8. 4-(chloromethyl)uracil

9. 6-chloromethylpyrimidine-2,4-dione

10. 4-chloromethyluracil

11. Einecs 242-431-9

12. 6-chloromethyl-uracil

13. Schembl317706

14. 6-(chloromethyl)uracil, 98%

15. Schembl8551633

16. Dtxsid4066387

17. Amy9241

18. Bcp12290

19. Str05019

20. Zinc2008825

21. Bbl027772

22. Stl373422

23. Akos000117192

24. Akos017269105

25. Cs-w008771

26. Sb57753

27. 6-chloromethyl-1h-pyrimidine-2,4-dione

28. Ac-29729

29. Bp-21356

30. Sy001115

31. Db-044574

32. C1057

33. Ft-0621079

34. En300-11300

35. 592c137

36. 6-(chloromethyl)-2,4(1h,3h)-pyrimidinedione #

37. A812987

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 160.56 g/mol
Molecular Formula C5H5ClN2O2
XLogP3-0.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass160.0039551 g/mol
Monoisotopic Mass160.0039551 g/mol
Topological Polar Surface Area58.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity212
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1