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ACTIVE PHARMA INGREDIENTS

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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

1 2D Structure

Piperidopyrimidinone Intermediate

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 Formula	C₁₁H₁₅ClN₂O
Molecular Weight	226.70 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	226.0872908 g/mol
Monoisotopic Mass	226.0872908 g/mol
Topological Polar Surface Area	32.7 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	347
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