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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

CAS 1016636-76-2
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 Weight 342.62 g/mol
Molecular Formula C13H13BrClN3O
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass340.99305 g/mol
Monoisotopic Mass340.99305 g/mol
Topological Polar Surface Area46.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity422
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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