CAS 1016636-76-2

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Chemistry

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Also known as: 1016636-76-2, 6-bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one, Mfcd13181208, 6sdd8u5f6g, 6-bromo-2-chloro-8-cyclopentyl-5-methyl-7h,8h-pyrido[2,3-d]pyrimidin-7-one, 6-bromo-2-chloro-8-cyclopentyl-5-methylpyrido-[2,3-d]pyrimidin-7(8h)-one

Molecular Formula

C₁₃H₁₃BrClN₃O

Molecular Weight

342.62 g/mol

InChI Key

HJQCAEDIUJXGCQ-UHFFFAOYSA-N

FDA UNII

6SDD8U5F6G

1 2D Structure

CAS 1016636-76-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one

2.1.2 InChI

InChI=1S/C13H13BrClN3O/c1-7-9-6-16-13(15)17-11(9)18(12(19)10(7)14)8-4-2-3-5-8/h6,8H,2-5H2,1H3

2.1.3 InChI Key

HJQCAEDIUJXGCQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(=O)N(C2=NC(=NC=C12)Cl)C3CCCC3)Br

2.2 Other Identifiers

2.2.1 UNII

6SDD8U5F6G

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1016636-76-2

2. 6-bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one

3. Mfcd13181208

4. 6sdd8u5f6g

5. 6-bromo-2-chloro-8-cyclopentyl-5-methyl-7h,8h-pyrido[2,3-d]pyrimidin-7-one

6. 6-bromo-2-chloro-8-cyclopentyl-5-methylpyrido-[2,3-d]pyrimidin-7(8h)-one

7. 6-bromo-2-chloro-8-cyclopentyl-5-methyl-8h-pyrido(2,3-d)pyrimidin-7-one

8. 6-bromo-2-chloro-8-cyclopentyl-5-methylpyrido(2,3-d)pyrimidin-7(8h)-one

9. 6-bromo-8-cyclopentyl-2-chloro-5-methyl-8h-pyrido[2,3-d]pyrimidin-7-one

10. Pyrido(2,3-d)pyrimidin-7(8h)-one, 6-bromo-2-chloro-8-cyclopentyl-5-methyl-

11. Pyrido[2,3-d]pyrimidin-7(8h)-one, 6-bromo-2-chloro-8-cyclopentyl-5-methyl-

12. 6-bromo-2-chloro-8-cyclopentyl-5-methyl-8h-pyrido[2,3-d]pyrimidin-7-one

13. Unii-6sdd8u5f6g

14. Schembl13202803

15. Amy3334

16. Dtxsid10658036

17. Bcp09136

18. Cs-b0329

19. Zinc85223586

20. Akos016007219

21. Sb17740

22. Ac-29707

23. As-10041

24. Sy058791

25. Ft-0697067

26. Ft-0697068

27. A856446

28. 6-bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7(8h)-one, Aldrichcpr

29. Pyrido[2,3-d]pyrimidin-7(8h)-one,6-bromo-2-chloro-8-cyclopentyl-5-methyl-

2.4 Create Date

2009-11-09

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₃BrClN₃O
Molecular Weight	342.62 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	340.99305 g/mol
Monoisotopic Mass	340.99305 g/mol
Topological Polar Surface Area	46.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	422
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