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Also known as: 1780-26-3, 2-methyl-4,6-dichloropyrimidine, Pyrimidine, 4,6-dichloro-2-methyl-, 4,6-dichloro-2-methyl-pyrimidine, Nsc-35923, 4um8pk8rcc
Molecular Formula
C5H4Cl2N2
Molecular Weight
163.00  g/mol
InChI Key
FIMUTBLUWQGTIJ-UHFFFAOYSA-N
FDA UNII
4UM8PK8RCC

CAS 1780-26-3
1 2D Structure

CAS 1780-26-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4,6-dichloro-2-methylpyrimidine
2.1.2 InChI
InChI=1S/C5H4Cl2N2/c1-3-8-4(6)2-5(7)9-3/h2H,1H3
2.1.3 InChI Key
FIMUTBLUWQGTIJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=NC(=CC(=N1)Cl)Cl
2.2 Other Identifiers
2.2.1 UNII
4UM8PK8RCC
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1780-26-3

2. 2-methyl-4,6-dichloropyrimidine

3. Pyrimidine, 4,6-dichloro-2-methyl-

4. 4,6-dichloro-2-methyl-pyrimidine

5. Nsc-35923

6. 4um8pk8rcc

7. 4,6-dichloro-2-methylpyrimidiine

8. Mfcd00090472

9. 4,6-dichloro-2-methyl Pyrimidine

10. Nsc35923

11. Unii-4um8pk8rcc

12. Schembl113085

13. 4 6-dichloro-2-methylpyrimidine

14. 4,6-dichloro-2-methyipyrimidine

15. Dtxsid80284149

16. 2-methyl-4,6-dichloro-pyrimidine

17. 4,6 Dichloro-2-methyl Pyrimidine

18. Act06398

19. Bcp30663

20. Cs-d1717

21. Zinc1668486

22. Nsc 35923

23. Akos002337366

24. Ac-5731

25. Ms-1554

26. Pb20912

27. 4,6-dichloro-2-methylpyrimidine, 98%

28. A3952

29. Am20090054

30. D3558

31. Ft-0601163

32. En300-59877

33. 780d263

34. J-011352

35. F0001-0649

36. 2-methyl-4,6-dichloropyrimidine;pyrimidine, 4,6-dichloro-2-methyl-;4,6-dichloro-2-methyl-pyrimidine

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 163.00 g/mol
Molecular Formula C5H4Cl2N2
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass161.9751535 g/mol
Monoisotopic Mass161.9751535 g/mol
Topological Polar Surface Area25.8 Ų
Heavy Atom Count9
Formal Charge0
Complexity89
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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