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CAS 1780-26-3
PharmaCompass
CAS 1780-26-3
Also known as: 1780-26-3, 2-methyl-4,6-dichloropyrimidine, 4,6-dichloro-2-methyl-pyrimidine, 2-mdcp, Pyrimidine, 4,6-dichloro-2-methyl-, Sbb054487
Molecular Formula
C5H4Cl2N2
Molecular Weight
163.001  g/mol
InChI Key
FIMUTBLUWQGTIJ-UHFFFAOYSA-N

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 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1780-26-3

2. 2-methyl-4,6-dichloropyrimidine

3. 4,6-dichloro-2-methyl-pyrimidine

4. 2-mdcp

5. Pyrimidine, 4,6-dichloro-2-methyl-

6. Sbb054487

7. 4,6-dichloro-2-methylpyrimidiine

8. 4,6-dichlor-2-methylpyrimidin

9. 4,6-dichloro-2-methyl Pyrimidine

10. Nsc35923

11. Pubchem7075

12. Ac1l5teu

13. Ac1q2oxe

14. Ac1q3prt

15. Acmc-1bpg6

16. Ksc490s3h

17. Schembl113085

18. 4 6-dichloro-2-methylpyrimidine

19. 4,6-dichloro-2-methyipyrimidine

20. Ctk3j0933

21. Dtxsid80284149

22. Fimutbluwqgtij-uhfffaoysa-n

23. Molport-000-873-081

24. 2-methyl-4,6-dichloro-pyrimidine

25. 4,6 Dichloro-2-methyl Pyrimidine

26. Act06398

27. Cs-d1717

28. Zinc1668486

29. Anw-22918

30. Mfcd00090472

31. Nsc-35923

32. Akos002337366

33. Ac-5731

34. Cm14054

35. Ls20305

36. Mcule-5351356407

37. Ms-1554

38. Pb20912

39. Rp22568

40. Rtc-063809

41. Tra0062293

42. Ks-0000037a

43. 4,6-dichloro-2-methylpyrimidine, 98%

44. Aj-29097

45. Ak-32230

46. An-10662

47. Br-32230

48. Cj-06082

49. Cj-27059

50. Hc210086

51. Kb-35729

52. Sc-01862

53. Sy015561

54. Ab0005488

55. Ab1007985

56. Kb-173694

57. St2410125

58. Tc-063809

59. Tl8001423

60. 4,6-dichloro-2-methylpyrimidine, 97% 1g

61. Am20090054

62. D3558

63. Ft-0601163

64. St51040113

65. En300-59877

66. A-1813

67. 780d263

68. J-011352

69. F0001-0649

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 163.001 g/mol
Molecular Formula C5H4Cl2N2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass161.975 g/mol
Monoisotopic Mass161.975 g/mol
Topological Polar Surface Area25.8 A^2
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
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