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2D Structure
Also known as: 444731-74-2, 6-[n-(2-chloropyrimidin-4-yl)amino]-2,3-dimethyl-2h-indazole, N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine, N-(2-chloro-4-pyrimidinyl)-2,3-dimethyl-2h-indazol-6-amine, 2h-indazol-6-amine,n-(2-chloro-4-pyrimidinyl)-2,3-dimethyl-, Schembl588939
Molecular Formula
C13H12ClN5
Molecular Weight
273.72  g/mol
InChI Key
SCUMWVJJSLLWHQ-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine
2.1.2 InChI
InChI=1S/C13H12ClN5/c1-8-10-4-3-9(7-11(10)18-19(8)2)16-12-5-6-15-13(14)17-12/h3-7H,1-2H3,(H,15,16,17)
2.1.3 InChI Key
SCUMWVJJSLLWHQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C2C=CC(=CC2=NN1C)NC3=NC(=NC=C3)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 444731-74-2

2. 6-[n-(2-chloropyrimidin-4-yl)amino]-2,3-dimethyl-2h-indazole

3. N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine

4. N-(2-chloro-4-pyrimidinyl)-2,3-dimethyl-2h-indazol-6-amine

5. 2h-indazol-6-amine,n-(2-chloro-4-pyrimidinyl)-2,3-dimethyl-

6. Schembl588939

7. Dtxsid50469840

8. 2h-indazol-6-amine, N-(2-chloro-4-pyrimidinyl)-2,3-dimethyl-

9. Bcp18727

10. Cs-b0768

11. Mfcd17014818

12. Zinc35976996

13. Akos015918002

14. Gs-0913

15. Ac-27690

16. Db-038009

17. Am20090658

18. Ft-0687640

19. F11990

20. N-(chloropyrimidine-4-yl)-2,3-dimethyl-2h-indazol-6-amine

21. N-(2-chloropyrimidin-4-yl)-2,3-dimethyl-2h- Indazol-6-amine

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 273.72 g/mol
Molecular Formula C13H12ClN5
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass273.0781231 g/mol
Monoisotopic Mass273.0781231 g/mol
Topological Polar Surface Area55.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity315
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1