CAS 26661-13-2

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2 End Use APIs
15 Related Intermediates

Chemistry

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Also known as: 26661-13-2, N-(2-oxo-1,2-dihydropyrimidin-4-yl)benzamide, N-benzoylcytosine, N-(2-oxo-1h-pyrimidin-6-yl)benzamide, N-4-benzoyl cytosine, Benzamide, n-(1,2-dihydro-2-oxo-4-pyrimidinyl)-

Molecular Formula

C₁₁H₉N₃O₂

Molecular Weight

215.21 g/mol

InChI Key

XBDUZBHKKUFFRH-UHFFFAOYSA-N

1 2D Structure

CAS 26661-13-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(2-oxo-1H-pyrimidin-6-yl)benzamide

2.1.2 InChI

InChI=1S/C11H9N3O2/c15-10(8-4-2-1-3-5-8)13-9-6-7-12-11(16)14-9/h1-7H,(H2,12,13,14,15,16)

2.1.3 InChI Key

XBDUZBHKKUFFRH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=NC(=O)N2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 26661-13-2

2. N-(2-oxo-1,2-dihydropyrimidin-4-yl)benzamide

3. N-benzoylcytosine

4. N-(2-oxo-1h-pyrimidin-6-yl)benzamide

5. N-4-benzoyl Cytosine

6. Benzamide, N-(1,2-dihydro-2-oxo-4-pyrimidinyl)-

7. Mfcd00239434

8. N-(2-hydroxy-pyrimidin-4-yl)-benzamide

9. N-(2-oxo-1,2-dihydro-4-pyrimidinyl)benzamide

10. N-benzoyl Cytosine

11. 4-n-benzoylcytosine

12. N4 -benzoylcytosine

13. N4-benzoyl Cytosine

14. Nsc211617

15. N4-(benzoyl)cytosine

16. N4 -(benzoyl)cytosine

17. N4-benzoylcytosine, 98%

18. Oprea1_638286

19. Schembl210467

20. 2-hydroxy-4-benzamidopyrimidine

21. Chembl1222779

22. Schembl18549055

23. Schembl19073177

24. Ammd00026

25. Dtxsid00309282

26. Zinc140365

27. Act01666

28. Bcp12250

29. Akos015839060

30. Akos015888110

31. Am85688

32. As-2052

33. Ccg-308745

34. Cs-w020564

35. Nsc 211617

36. Nsc-211617

37. Sb17530

38. Ac-29262

39. Sy036434

40. Db-008649

41. B3169

42. Ft-0638627

43. F14842

44. N-(2,3-dihydro-2-oxo-4-pyrimidinyl)benzamide

45. N-(2-oxo-2,3-dihydropyrimidin-4-yl)benzamide

46. P15522

47. A818547

48. N-(2-oxo-1,2-dihydro-4-pyrimidinyl)benzamide #

49. Sr-01000463612

50. Sr-01000463612-1

51. W-202133

52. F0914-5981

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₉N₃O₂
Molecular Weight	215.21 g/mol
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	215.069476538 g/mol
Monoisotopic Mass	215.069476538 g/mol
Topological Polar Surface Area	70.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	354
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