CAS 41078-70-0

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29 Related Intermediates

Chemistry

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Also known as: 41078-70-0, 3-(2-chloroethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-2-methyl-4h-pyrido-[1,2-a]pyrimidin-4-one, 3-(2-chloro-ethyl)-2-methyl-pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-2-methyl-4h-pyrido(1,2-a)pyrimidin-4-one, 4h-pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-2-methyl-

Molecular Formula

C₁₁H₁₁ClN₂O

Molecular Weight

222.67 g/mol

InChI Key

LFTGLYCNMGGMKL-UHFFFAOYSA-N

1 2D Structure

CAS 41078-70-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(2-chloroethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one

2.1.2 InChI

InChI=1S/C11H11ClN2O/c1-8-9(5-6-12)11(15)14-7-3-2-4-10(14)13-8/h2-4,7H,5-6H2,1H3

2.1.3 InChI Key

LFTGLYCNMGGMKL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(=O)N2C=CC=CC2=N1)CCCl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 41078-70-0

2. 3-(2-chloroethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one

3. 3-(2-chloroethyl)-2-methyl-4h-pyrido-[1,2-a]pyrimidin-4-one

4. 3-(2-chloro-ethyl)-2-methyl-pyrido[1,2-a]pyrimidin-4-one

5. 3-(2-chloroethyl)-2-methyl-4h-pyrido(1,2-a)pyrimidin-4-one

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

7. Einecs 255-207-0

8. Mls006010917

9. Schembl1444060

10. Dtxsid70194041

11. Zinc332182

12. Act04283

13. Mfcd03085747

14. Akos015895865

15. Ac-3456

16. As-16100

17. Smr002530025

18. Db-049712

19. Cs-0172068

20. Ft-0639694

21. 078c700

22. Ae-406/41056944

23. Sr-01000945071

24. Sr-01000945071-1

25. W-106323

26. 2-methyl-3-(2-chloroethyl)-4h-pyrido[1,2-a)pyrimidin-4-one

27. 3-(2-chloro-ethyl)-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-one

28. 3-(2-chloroethyl)-2-methyl-4h-pyri-do[1,2-a]pyrimidin-4-one

29. 3-(2-chloroethyl)-2-methyl-4h-pyrido-[1,2-a]pyrimidin-4one

30. 3-(2-chloroethyl)-2-methyl-4h-pyrido[1,2-a ]pyrimidin-4-one

31. 3-(2-chloroethyl)-2-methyl-4h-pyrido[1,2-a]-pyrimidin-4-one

32. 3-(2-chloroethyl)-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-one;

33. 3-(2-chloroethyl)-2-methyl-4h-pyrido[1,2-a] Pyrimnidin-4-one

2.3 Create Date

2005-07-08

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₁ClN₂O
Molecular Weight	222.67 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	222.0559907 g/mol
Monoisotopic Mass	222.0559907 g/mol
Topological Polar Surface Area	32.7 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	418
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