Close
4
FDA_New_Drug_Approvals_in_2019
X

Overview of CAS 189956-45-4

Client Email Product
4CH-023696
PharmaCompass
4CH-023696
Also known as: 189956-45-4, 4-(4-hydroxypyrimidin-2-ylamino)benzonitrile, 4-[(4-hydroxy-2-pyrimidinyl)amino]benzonitrile, Benzonitrile, 4-[(1,4-dihydro-4-oxo-2-pyrimidinyl)amino]-, 4-n[2(4-hydroxypyrimidinyl)]aminobenzonitrile, 4-[(4-hydroxy-pyrimidin-2-yl)amino]-benzonitrile
Molecular Formula
C11H8N4O
Molecular Weight
212.212  g/mol
InChI Key
BBNOJNASJQRRSH-UHFFFAOYSA-N

1 2D Structure

4CH-023696

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[(6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile
2.1.2 InChI
InChI=1S/C11H8N4O/c12-7-8-1-3-9(4-2-8)14-11-13-6-5-10(16)15-11/h1-6H,(H2,13,14,15,16)
2.1.3 InChI Key
BBNOJNASJQRRSH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1C#N)NC2=NC=CC(=O)N2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 189956-45-4

2. 4-(4-hydroxypyrimidin-2-ylamino)benzonitrile

3. 4-[(4-hydroxy-2-pyrimidinyl)amino]benzonitrile

4. Benzonitrile, 4-[(1,4-dihydro-4-oxo-2-pyrimidinyl)amino]-

5. 4-n[2(4-hydroxypyrimidinyl)]aminobenzonitrile

6. 4-[(4-hydroxy-pyrimidin-2-yl)amino]-benzonitrile

7. 4-[(6-oxo-1h-pyrimidin-2-yl)amino]benzonitrile

8. 4-[(4-oxo-1,4-dihydropyrimidin-2-yl)amino]benzonitrile

9. 4-((4-hydroxypyrimidin-2-yl)amino)benzonitrile

10. Schembl384215

11. Ctk0h1414

12. Dtxsid40444368

13. Bbnojnasjqrrsh-uhfffaoysa-n

14. Bcp04530

15. Ks-000026ky

16. Zinc8700471

17. Anw-54490

18. Akos015917879

19. Akos015994026

20. He-0007

21. Mcule-7118685863

22. Qc-1791

23. Vp50374

24. Aj-58390

25. Ak-84659

26. An-28754

27. Ax8099249

28. 4ch-023696

29. Ft-0687617

30. St24042747

31. X6038

32. Nhn[2(4-hydroxypyrimidinyl)]aminobenzonitrile

33. H67413

34. 4-[(4-hydroxy-2-pyrimidinyl)amino]-benzonitrile

35. 956n454

36. C-39516

37. I14-9224

38. 4-(4-oxo-1,4-dihydropyrimidin-2-ylamino) Benzonitrile

39. 4-[(1,4-dihydro4-oxo-2-pyrimidinyl)amino]benzonitrile

40. 4-[(6-oxo-1,6-dihydro-2-pyrimidinyl)amino]benzonitrile

41. 4-[(6-oxo-1,6-dihydropyrimidin-2-yl)amino]benzonitrile

42. 4[(1,4-dihydro-4-oxo-2-pyrimidinyl)amino]benzonitrile

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 212.212 g/mol
Molecular Formula C11H8N4O
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass212.07 g/mol
Monoisotopic Mass212.07 g/mol
Topological Polar Surface Area77.3 A^2
Heavy Atom Count16
Formal Charge0
Complexity382
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty

Advertise With Us

Advertise With Us