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Also known as: 63234-80-0, 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]-pyrimidin-4-one, 3-(2-chloro-ethyl)-2-methyl-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, Piperidopyrimidinone intermediate
Molecular Formula
C11H15ClN2O
Molecular Weight
226.70  g/mol
InChI Key
CMWCQQUYLPYOMY-UHFFFAOYSA-N
FDA UNII
2089CR1AQN

CAS 63234-80-0
1 2D Structure

CAS 63234-80-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
2.1.2 InChI
InChI=1S/C11H15ClN2O/c1-8-9(5-6-12)11(15)14-7-3-2-4-10(14)13-8/h2-7H2,1H3
2.1.3 InChI Key
CMWCQQUYLPYOMY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C(=O)N2CCCCC2=N1)CCCl
2.2 Other Identifiers
2.2.1 UNII
2089CR1AQN
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 63234-80-0

2. 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-one

3. 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]-pyrimidin-4-one

4. 3-(2-chloro-ethyl)-2-methyl-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one

5. 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

6. Piperidopyrimidinone Intermediate

7. 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4hpyrido(1,2-a)pyrimidin-4-one

8. 2089cr1aqn

9. Mfcd06200813

10. 3-(2-chloroethyl)-2-methyl-4h,6h,7h,8h,9h-pyrido[1,2-a]pyrimidin-4-one

11. 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido(1,2a)pyrimidine-4-one

12. 4h-pyrido(1,2-a)pyrimidin-4-one, 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-

13. 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidine-4-one

14. 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido[1,2-a]pyrimidine-4-one

15. Risperidone Impurity L [ep]

16. Unii-2089cr1aqn

17. 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido(1,2-a)pyrimidin-4-one

18. 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido(1,2-a)pyrimidin-4-one

19. Paliperidone Impurity 3

20. Risperidone Ep Impurity L;

21. Schembl460865

22. Dtxsid00212626

23. Act04286

24. Bcp11946

25. Bbl010804

26. Stk617737

27. Zinc13723213

28. Akos005552077

29. Ac-3457

30. Cs-w014205

31. Pb10329

32. Sb10296

33. 3-2(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido[1,2-a]pyrimdin-4-one

34. As-73540

35. Sy047063

36. A8722

37. Ft-0640879

38. Ft-0705669

39. Risperidone Impurity L [ep Impurity]

40. 1,2-benzisoxazole,4-fluoro-3-(4-piperidinyl)-

41. 234c800

42. J-510497

43. Q27253442

44. 3-(2-chloroethyl)-6,7,8,9-th-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-one

45. 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyridino(1,2-a)-pyrimidine-4-one

46. 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyridino(1,2a)pyrimidine-4-one

47. 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]-pyrimidin-4 One

48. 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h- Pyrido[1,2-a]pyrimidin-4-one

49. 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyridino[1,2-a]pyrimidine-4-one

50. 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido [1,2-a] Pyrimidin-4-one

51. 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido [1,2-a]pyrimidine-4-one

52. 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido 1,2-a Pyrimidin-4-one

53. 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido[ 1,2-a]pyrimidin-4-one

54. 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2methyl-4h-pyrido[1,2-a]pyrimidin-4-one

55. 4h-pyrido[1,2-a]pyrimidin-4-one,3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-

56. 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-one, Aldrichcpr

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 226.70 g/mol
Molecular Formula C11H15ClN2O
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass226.0872908 g/mol
Monoisotopic Mass226.0872908 g/mol
Topological Polar Surface Area32.7 Ų
Heavy Atom Count15
Formal Charge0
Complexity347
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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