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Also known as: 1013916-37-4, 2-chloro-8-cyclopentyl-5-methyl-8h-pyrido[2,3-d]pyrimidin-7-one, 2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one, Mfcd13181207, 2-chloro-8-cyclopentyl-5-methyl-7h,8h-pyrido[2,3-d]pyrimidin-7-one, Schembl2969552
Molecular Formula
C13H14ClN3O
Molecular Weight
263.72  g/mol
InChI Key
BSKNQSYIDZUXQT-UHFFFAOYSA-N

CAS 1013916-37-4
1 2D Structure

CAS 1013916-37-4

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 Weight 263.72 g/mol
Molecular Formula C13H14ClN3O
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass263.0825398 g/mol
Monoisotopic Mass263.0825398 g/mol
Topological Polar Surface Area46.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity378
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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