CAS 1013916-37-4

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C13H14ClN3O/c1-8-6-11(18)17(9-4-2-3-5-9)12-10(8)7-15-13(14)16-12/h6-7,9H,2-5H2,1H3

2.1.3 InChI Key

BSKNQSYIDZUXQT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=O)N(C2=NC(=NC=C12)Cl)C3CCCC3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1013916-37-4

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

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

4. Mfcd13181207

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

6. Schembl2969552

7. Amy3333

8. Dtxsid50658035

9. Bcp11685

10. Cs-b0328

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

12. Zinc72284464

13. Akos016007194

14. Sb17741

15. Ac-29706

16. As-10034

17. Sy069699

18. Ft-0697066

19. 2-chloro-8-cyclopentyl-5-methylpyrido-[2,3-d]pyrimidin-7(8h)-one

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

21. 2-chloro-8-cyclopentyl-5-methyl-8h-pyrido[2,3-d]pyrimidin-7-one, Aldrichcpr

2.3 Create Date

2009-11-09

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₄ClN₃O
Molecular Weight	263.72 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	263.0825398 g/mol
Monoisotopic Mass	263.0825398 g/mol
Topological Polar Surface Area	46.1 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	378
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

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