CAS 1780-26-3

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2 End Use APIs
15 Related Intermediates

Chemistry

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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

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 Formula	C₅H₄Cl₂N₂
Molecular Weight	163.00 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	161.9751535 g/mol
Monoisotopic Mass	161.9751535 g/mol
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	89
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