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Also known as: 1374639-77-6, (2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)methanol, D9wk53597v, Mfcd29072793, 2-chloro-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidine-6-methanol, 2-chloro-7-cyclopentyl-7h-pyrrolo(2,3-d)pyrimidine-6-methanol
Molecular Formula
C12H14ClN3O
Molecular Weight
251.71  g/mol
InChI Key
ADHCEFBFOBDYEC-UHFFFAOYSA-N
FDA UNII
D9WK53597V

CAS 1374639-77-6
1 2D Structure

CAS 1374639-77-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)methanol
2.1.2 InChI
InChI=1S/C12H14ClN3O/c13-12-14-6-8-5-10(7-17)16(11(8)15-12)9-3-1-2-4-9/h5-6,9,17H,1-4,7H2
2.1.3 InChI Key
ADHCEFBFOBDYEC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CCC(C1)N2C(=CC3=CN=C(N=C32)Cl)CO
2.2 Other Identifiers
2.2.1 UNII
D9WK53597V
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1374639-77-6

2. (2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)methanol

3. D9wk53597v

4. Mfcd29072793

5. 2-chloro-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidine-6-methanol

6. 2-chloro-7-cyclopentyl-7h-pyrrolo(2,3-d)pyrimidine-6-methanol

7. 7h-pyrrolo(2,3-d)pyrimidine-6-methanol, 2-chloro-7-cyclopentyl-

8. (2-chloro-7-cyclopentyl-7h-pyrrolo(2,3-d)pyrimidin-6-yl)methanol

9. 2-chloro-7-cyclopentyl-6-(hydroxymethyl)-7h-pyrrolo[2,3-d]pyrimidine

10. 7h-pyrrolo[2,3-d]pyrimidine-6-methanol, 2-chloro-7-cyclopentyl-

11. Unii-d9wk53597v

12. Schembl2685547

13. Dtxsid401182940

14. Amy12433

15. Bcp15719

16. Cs-b1534

17. Zec63977

18. Akos030524226

19. Zinc168659435

20. Ab86651

21. Ac-31321

22. Ds-19945

23. Sy061056

24. Db-104507

25. F53306

26. (2-chloro-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidin-6-yl)-methanol

27. 7h-pyrrolo[2,3-d]pyrimidine-6-methanol, 2-chloro-7-cyclopentyl

2.4 Create Date
2015-02-02
3 Chemical and Physical Properties
Molecular Weight 251.71 g/mol
Molecular Formula C12H14ClN3O
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass251.0825398 g/mol
Monoisotopic Mass251.0825398 g/mol
Topological Polar Surface Area50.9 Ų
Heavy Atom Count17
Formal Charge0
Complexity273
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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