Also known as: Enmd-2076, 934353-76-1, Enmd 2076, Enmd2076, 6-(4-methylpiperazin-1-yl)-n-(5-methyl-1h-pyrazol-3-yl)-2-[(e)-2-phenylethenyl]pyrimidin-4-amine, Chembl482968

Molecular Formula

C₂₁H₂₅N₇

Molecular Weight

375.5 g/mol

InChI Key

BLQYVHBZHAISJM-CMDGGOBGSA-N

FDA UNII

J6U9WP10T7

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine

2.1.2 InChI

InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)/b9-8+

2.1.3 InChI Key

BLQYVHBZHAISJM-CMDGGOBGSA-N

2.1.4 Canonical SMILES

CC1=CC(=NN1)NC2=CC(=NC(=N2)C=CC3=CC=CC=C3)N4CCN(CC4)C

2.1.5 Isomeric SMILES

CC1=CC(=NN1)NC2=CC(=NC(=N2)/C=C/C3=CC=CC=C3)N4CCN(CC4)C

2.2 Other Identifiers

2.2.1 UNII

J6U9WP10T7

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Enmd 2076

2. Enmd-2076

3. Enmd2076

2.3.2 Depositor-Supplied Synonyms

1. Enmd-2076

2. 934353-76-1

3. Enmd 2076

4. Enmd2076

5. 6-(4-methylpiperazin-1-yl)-n-(5-methyl-1h-pyrazol-3-yl)-2-[(e)-2-phenylethenyl]pyrimidin-4-amine

6. Chembl482968

7. J6u9wp10t7

8. Enmd-981693

9. 934353-76-1 (free Base)

10. 4-pyrimidinamine, 6-(4-methyl-1-piperazinyl)-n-(5-methyl-1h-pyrazol-3-yl)-2-((1e)-2-phenylethenyl)-

11. 6-(4-methyl-1-piperazinyl)-n-(5-methyl-1h-pyrazol-3-yl)-2-[(1e)-2-phenylethenyl]-4-pyrimidinamine

12. (e)-n-(5-methyl-1h-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-styrylpyrimidin-4-amine.

13. Unii-j6u9wp10t7

14. Ennd-2076

15. 1291074-87-7

16. Mls006011042

17. Schembl596481

18. Gtpl7885

19. Schembl10122872

20. Schembl15668060

21. Dtxsid60239430

22. Ex-a235

23. Bcp06358

24. Bdbm50277584

25. Hy-10987a

26. Mfcd18074523

27. Nsc800094

28. S1181

29. Zinc34885047

30. Akos030527014

31. Ccg-264851

32. Cs-0836

33. Nsc-800094

34. Ncgc00263178-09

35. Ac-32957

36. Smr004702835

37. Sw219567-1

38. J3.608.466i

39. J-518031

40. Brd-k68488863-001-01-5

41. Q27077188

42. N-(5-methyl-1h-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-styrylpyrimidin-4-amine

43. 6-(4-methyl-1-piperazinyl)-n-(5-methyl-1h-pyrazol-3-yl)-2-[(e)-2-phenylethenyl]-4-pyrimidinamine

44. J3a

2.4 Create Date

2007-04-23

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₅N₇
Molecular Weight	375.5 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	375.21714383 g/mol
Monoisotopic Mass	375.21714383 g/mol
Topological Polar Surface Area	73 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	499
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

ENMD 2076

ENMD 2076

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