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Overview of CAS 329187-59-9

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4CH-011483
PharmaCompass
4CH-011483
Also known as: 329187-59-9, 4-(4,6-dichloropyrimidin-2-ylamino)benzonitrile, 4-[(4,6-dichloro-2-pyrimidinyl)amino]benzonitrile, 4-[(4,6-dichloropyrimidin-2-yl)amino]benzonitrile, Benzonitrile, 4-[(4,6-dichloro-2-pyrimidinyl)amino]-, Benzonitrile,4-[(4,6-dichloro-2-pyrimidinyl)amino]-
Molecular Formula
C11H6Cl2N4
Molecular Weight
265.09  g/mol
InChI Key
MPEUVAXCNNGXQX-UHFFFAOYSA-N

1 2D Structure

4CH-011483

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[(4,6-dichloropyrimidin-2-yl)amino]benzonitrile
2.1.2 InChI
InChI=1S/C11H6Cl2N4/c12-9-5-10(13)17-11(16-9)15-8-3-1-7(6-14)2-4-8/h1-5H,(H,15,16,17)
2.1.3 InChI Key
MPEUVAXCNNGXQX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1C#N)NC2=NC(=CC(=N2)Cl)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 329187-59-9

2. 4-(4,6-dichloropyrimidin-2-ylamino)benzonitrile

3. 4-[(4,6-dichloro-2-pyrimidinyl)amino]benzonitrile

4. 4-[(4,6-dichloropyrimidin-2-yl)amino]benzonitrile

5. Benzonitrile, 4-[(4,6-dichloro-2-pyrimidinyl)amino]-

6. Benzonitrile,4-[(4,6-dichloro-2-pyrimidinyl)amino]-

7. Schembl248043

8. Ctk4g9569

9. Dtxsid90675827

10. Mpeuvaxcnngxqx-uhfffaoysa-n

11. Bcp22467

12. Ks-000001ny

13. Anw-46534

14. Mfcd11865110

15. Zinc40435086

16. Akos015918021

17. An-5162

18. Rp29433

19. Sb18235

20. Tra0026302

21. Vz27749

22. Ac-25859

23. Acm329187599

24. Ak-84873

25. As-18300

26. Cj-20074

27. Sc-21482

28. Aj-102188

29. Ax8226549

30. Db-024406

31. Rt-009885

32. 4ch-011483

33. A5882

34. Ft-0666598

35. St24023086

36. W5466

37. 4-(4,6-dichloro-2-aminopyrimide)benzonitrile

38. 4-(4,6-dichloro-pyrimidin-2-ylamino)-benzonitrile

39. 4-(4,6-dichloropyrimidine-2-yl-amino)benzonitrile

40. I14-9243

41. J-018935

42. J-519759

43. 4-((4, 6-dichloropyrimidin-2-yl) Amino) Benzonitrile

2.3 Create Date
2010-07-26
3 Chemical and Physical Properties
Molecular Weight 265.09 g/mol
Molecular Formula C11H6Cl2N4
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass263.996952 g/mol
Monoisotopic Mass263.996952 g/mol
Topological Polar Surface Area61.6
Heavy Atom Count17
Formal Charge0
Complexity285
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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