CAS 1421372-66-8

Chemistry, 3 End Use API, 35 Related Intermediates

Manufacturers/Suppliers

3 Suppliers

3 Suppliers

Also known as: 1421372-66-8, N1-(2-(dimethylamino)ethyl)-5-methoxy-n1-methyl-n4-(4-(1-methyl-1h-indol-3-yl)pyrimidin-2-yl)benzene-1,2,4-triamine, Azd9291da hcl salt, Osimertinib analog, N1-[2-(dimethylamino)ethyl]-5-methoxy-n1-methyl-n4-[4-(1-methyl-1h-indol-3-yl)-2-pyrimidinyl]-1,2,4-benzenetriamine, 1-n-[2-(dimethylamino)ethyl]-5-methoxy-1-n-methyl-4-n-[4-(1-methylindol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine

Molecular Formula

C₂₅H₃₁N₇O

Molecular Weight

445.6 g/mol

InChI Key

HTNTZPBKKCORTP-UHFFFAOYSA-N

1 2D Structure

CAS 1421372-66-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine

2.1.2 InChI

InChI=1S/C25H31N7O/c1-30(2)12-13-31(3)23-15-24(33-5)21(14-19(23)26)29-25-27-11-10-20(28-25)18-16-32(4)22-9-7-6-8-17(18)22/h6-11,14-16H,12-13,26H2,1-5H3,(H,27,28,29)

2.1.3 InChI Key

HTNTZPBKKCORTP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)N)N(C)CCN(C)C)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1421372-66-8

2. N1-(2-(dimethylamino)ethyl)-5-methoxy-n1-methyl-n4-(4-(1-methyl-1h-indol-3-yl)pyrimidin-2-yl)benzene-1,2,4-triamine

3. Azd9291da Hcl Salt

4. Osimertinib Analog

5. N1-[2-(dimethylamino)ethyl]-5-methoxy-n1-methyl-n4-[4-(1-methyl-1h-indol-3-yl)-2-pyrimidinyl]-1,2,4-benzenetriamine

6. 1-n-[2-(dimethylamino)ethyl]-5-methoxy-1-n-methyl-4-n-[4-(1-methylindol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine

7. N1-[2-(dimethylamino)ethyl]-5-methoxy-n1-methyl-n4-[4-(1-methyl-1h-indol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine

8. Mutatedegfr-in-1

9. Chembl5028834

10. Schembl14660679

11. Amy5307

12. Bcp28639

13. Mfcd28167800

14. Akos027327325

15. Zinc146451979

16. Cs-3259

17. Sb18655

18. Ncgc00390638-01

19. Ac-30103

20. As-75022

21. Da-45007

22. Hy-78869

23. Ft-0757730

24. A885232

25. N1-(2-(dimethylamino)ethyl)-5-methoxy-n1-methyl-n4-(4-(1-methyl-1h-indol-3-yl)pyrimidin-2-yl)benzene-1,2,4-triamine Hydrochloride

26. N1-(2-(dimethylamino)ethyl)-5-methoxy-n1-methyl-n4-(4-(1-methyl-1h-indol-3-yl)pyrimidin-2-yl)benzene-1,2,4-triamine; N1-(2-dimethylaminoethyl)-5-methoxy-n1-methyl-n4-[4-(1-methylindol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine

27. N1-(2-dimethylaminoethyl)-5-methoxy-n1-methyl-n4-[4-(1-methylindol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine

2.3 Create Date

2014-10-10

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₃₁N₇O
Molecular Weight	445.6 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	445.25900864 g/mol
Monoisotopic Mass	445.25900864 g/mol
Topological Polar Surface Area	84.5 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	607
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