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CAS 1211443-61-6
PharmaCompass
CAS 1211443-61-6
Also known as: 2-chloro-7-cyclopentyl-n,n-dimethyl-7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide, 1211443-61-6, Schembl1990321, Cs-b1515, Mfcd20527881, Akos026674082
Molecular Formula
C14H17ClN4O
Molecular Weight
292.767  g/mol
InChI Key
PMDDQOHZLBZUSO-UHFFFAOYSA-N

1 2D Structure

CAS 1211443-61-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
2.1.2 InChI
InChI=1S/C14H17ClN4O/c1-18(2)13(20)11-7-9-8-16-14(15)17-12(9)19(11)10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3
2.1.3 InChI Key
PMDDQOHZLBZUSO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 2-chloro-7-cyclopentyl-n,n-dimethyl-7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide

2. 1211443-61-6

3. Schembl1990321

4. Cs-b1515

5. Mfcd20527881

6. Akos026674082

7. Zinc117720372

8. Acn-040730

9. Ds-9960

10. Ks-0000065y

11. Ak198902

12. 2-chloro-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidine-6-carboxylic Acid Dimethyl Amide

13. 2-chloro-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidine-6-carboxylic Acid Dimethylamide

14. 7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide, 2-chloro-7-cyclopentyl-n,n-dimethyl-

2.3 Create Date
2012-08-19
3 Chemical and Physical Properties
Molecular Weight 292.767 g/mol
Molecular Formula C14H17ClN4O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass292.109 g/mol
Monoisotopic Mass292.109 g/mol
Topological Polar Surface Area51 A^2
Heavy Atom Count20
Formal Charge0
Complexity372
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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