Octanex Labs | CAS 477600-74-1 | Related Intermediates | Manufacturers & Suppliers

CAS 477600-74-1

Chemistry, 4 End Use API, 58 Related Intermediates

Manufacturers/Suppliers

4 Suppliers

4 Suppliers

Also known as: 477600-74-1, N-methyl-n-[(3r,4r)-4-methylpiperidin-3-yl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine, Tofacitinib impurity m, Td92pjw2h4, 1206825-36-6, 7h-pyrrolo(2,3-d)pyrimidin-4-amine, n-methyl-n-((3r,4r)-4-methyl-3-piperidinyl)-

Molecular Formula

C₁₃H₁₉N₅

Molecular Weight

245.32 g/mol

InChI Key

XRIARWQZLGCQDM-KOLCDFICSA-N

FDA UNII

TD92PJW2H4

1 2D Structure

CAS 477600-74-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2.1.2 InChI

InChI=1S/C13H19N5/c1-9-3-5-14-7-11(9)18(2)13-10-4-6-15-12(10)16-8-17-13/h4,6,8-9,11,14H,3,5,7H2,1-2H3,(H,15,16,17)/t9-,11+/m1/s1

2.1.3 InChI Key

XRIARWQZLGCQDM-KOLCDFICSA-N

2.1.4 Canonical SMILES

CC1CCNCC1N(C)C2=NC=NC3=C2C=CN3

2.1.5 Isomeric SMILES

C[C@@H]1CCNC[C@@H]1N(C)C2=NC=NC3=C2C=CN3

2.2 Other Identifiers

2.2.1 UNII

TD92PJW2H4

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 477600-74-1

2. N-methyl-n-[(3r,4r)-4-methylpiperidin-3-yl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine

3. Tofacitinib Impurity M

4. Td92pjw2h4

5. 1206825-36-6

6. 7h-pyrrolo(2,3-d)pyrimidin-4-amine, N-methyl-n-((3r,4r)-4-methyl-3-piperidinyl)-

7. N-methyl-n-((3r,4r)-4-methylpiperidin-3-yl)-7h-pyrrolo(2,3-d)pyrimidin-4-amine

8. Methyl-((3r,4r)-4-methyl-piperidin-3-yl)-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-amine

9. Methyl-[(3r,4r)-4-methyl-piperidin-3-yl]-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-amine

10. Mfcd09878608

11. Unii-td92pjw2h4

12. Schembl1120755

13. Dtxsid70633602

14. 7h-pyrrolo[2,3-d]pyrimidin-4-amine, N-methyl-n-[(3r,4r)-4-methyl-3-piperidinyl]-, Rel-

15. Amy40127

16. Cs-b0706

17. Mfcd23097212

18. Zinc35270116

19. Akos005258732

20. Akos015899957

21. N-methyl-n-[(3r,4r)-4-methyl-3-piperidyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine

22. Ac-24274

23. Cs-13040

24. A26940

25. 600m741

26. A827336

27. Au-004/43508412

28. J-523688

29. N-methyl-n-(4-methyl-3-piperidinyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine

30. 1h-pyrrolo[2,3-d]pyrimidin-4-amine,n-methyl-n-[(3r,4r)-4-methyl-3-piperidinyl]-

31. Methyl-((3r,4r)4-methyl-piperidin-3-yl)-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-amine

32. Methyl-[(3r,4r)-4-methyl-piperidin-3-yl]-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amine

33. N-methyl-n-[(3r,4r)-4-methyl Piperidin-3-yl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine

34. N-methyl-n-[(3r,4r)-4-methyl-3-piperidinyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine

2.4 Create Date

2007-12-06

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₉N₅
Molecular Weight	245.32 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	245.16404563 g/mol
Monoisotopic Mass	245.16404563 g/mol
Topological Polar Surface Area	56.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	285
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

1062580-52-2

End Use API

Tofacitinib Citrate

About the Company

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners

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