CAS 75438-54-9

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Also known as: 75438-54-9, 1-{2-[(4,6-dichloro-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1h-imidazol-1-yl}ethan-1-one, 1-[2-(4,6-dichloro-2-methylpyrimidin-5-ylamino)-4,5-dihydroimidazol-1-yl]ethanone, Gnf-pf-2007, 4,6-dichloro-2-methyl-5-(1-acetyl-2-imidazoline-2-yl)aminopyrimidine, 1-(2-((4,6-dichloro-2-methylpyrimidin-5-yl)amino)-4,5-dihydro-1h-imidazol-1-yl)ethan-1-one

Molecular Formula

C₁₀H₁₁Cl₂N₅O

Molecular Weight

288.13 g/mol

InChI Key

UPSZQCBUTUCGAR-UHFFFAOYSA-N

1 2D Structure

CAS 75438-54-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[2-[(4,6-dichloro-2-methylpyrimidin-5-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone

2.1.2 InChI

InChI=1S/C10H11Cl2N5O/c1-5-14-8(11)7(9(12)15-5)16-10-13-3-4-17(10)6(2)18/h3-4H2,1-2H3,(H,13,16)

2.1.3 InChI Key

UPSZQCBUTUCGAR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=NC(=C(C(=N1)Cl)NC2=NCCN2C(=O)C)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 75438-54-9

2. 1-{2-[(4,6-dichloro-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1h-imidazol-1-yl}ethan-1-one

3. 1-[2-(4,6-dichloro-2-methylpyrimidin-5-ylamino)-4,5-dihydroimidazol-1-yl]ethanone

4. Gnf-pf-2007

5. 4,6-dichloro-2-methyl-5-(1-acetyl-2-imidazoline-2-yl)aminopyrimidine

6. 1-(2-((4,6-dichloro-2-methylpyrimidin-5-yl)amino)-4,5-dihydro-1h-imidazol-1-yl)ethan-1-one

7. 1-[2-[(4,6-dichloro-2-methylpyrimidin-5-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone

8. 1-(2-(4,6-dichloro-2-methylpyrimidin-5-ylamino)-4,5-dihydro-1h-imidazol-1-yl)ethanone

9. Chembl602984

10. Schembl2329456

11. Bcp25233

12. Mfcd04117980

13. Stk996929

14. Akos001832371

15. Akos005640771

16. Af-0055

17. Ccg-133244

18. 1-acetyl-n-(4,6-dichloro-2-methyl-5-pyrimidinyl)-4,5-dihydro-1h-imidazol-2-amine

19. Ac-17777

20. Cs-0108711

21. Sr-01000485903

22. J-502873

23. Sr-01000485903-1

24. 4,6-dichloro-2-methyl-5-(1-acetylimidazoline-2-yl-)aminopyrimidine

25. 4,6-dichloro-2-methyl-5-(1-actyl-2-imidazoline-2yl)-amino Pyrimidine

26. N-(1-acetylimidazolin-2-ylidene)-4,6-dichloro-2-methyl-5-pyrimidinamine

27. 1-{(2e)-2-[(4,6-dichloro-2-methylpyrimidin-5-yl)imino]imidazolidin-1-yl}ethanone

28. Ethanone,1-[2-[(4,6-dichloro-2-methyl-5-pyrimidinyl)amino]-4,5-dihydro-1h-imidazol-1-yl]-

2.3 Create Date

2007-02-07

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₁Cl₂N₅O
Molecular Weight	288.13 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	70.5
Heavy Atom Count	18
Formal Charge	0
Complexity	352
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