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Chemistry

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Also known as: 41964-07-2, Mlr-1023, Cp-26154, 5-(m-tolyloxy)pyrimidin-2(1h)-one, Mlr 1023, 5-(3-methylphenoxy)-2(1h)-pyrimidinone

Molecular Formula

C₁₁H₁₀N₂O₂

Molecular Weight

202.21 g/mol

InChI Key

HJQILFPVRNHTIG-UHFFFAOYSA-N

FDA UNII

MU3JD8E9IS

1 2D Structure

Tolimidone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-(3-methylphenoxy)-1H-pyrimidin-2-one

2.1.2 InChI

InChI=1S/C11H10N2O2/c1-8-3-2-4-9(5-8)15-10-6-12-11(14)13-7-10/h2-7H,1H3,(H,12,13,14)

2.1.3 InChI Key

HJQILFPVRNHTIG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=CC=C1)OC2=CNC(=O)N=C2

2.2 Other Identifiers

2.2.1 UNII

MU3JD8E9IS

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 5-(3-methylphenoxy)-2(1h)-pyrimidinone

2. Mlr-1023

2.3.2 Depositor-Supplied Synonyms

1. 41964-07-2

2. Mlr-1023

3. Cp-26154

4. 5-(m-tolyloxy)pyrimidin-2(1h)-one

5. Mlr 1023

6. 5-(3-methylphenoxy)-2(1h)-pyrimidinone

7. 5-(3-methylphenoxy)-1h-pyrimidin-2-one

8. 2(1h)-pyrimidinone, 5-(3-methylphenoxy)-

9. Cp-26,154

10. Mlr-1003

11. Mu3jd8e9is

12. Nsc-314335

13. Tolimidone (usan)

14. Nsc 314335

15. Cp 26154

16. Tolimidone [usan]

17. Tolimidone [usan:inn]

18. Unii-mu3jd8e9is

19. Tolimidone [inn]

20. Chembl8030

21. Tolimidone (mlr-1023)

22. Tolimidone [who-dd]

23. Mls006012600

24. Schembl637505

25. Gtpl9433

26. Schembl21168610

27. Dtxsid50194786

28. Hms3749i15

29. Bcp06813

30. Ex-a1338

31. Bdbm50545405

32. Mfcd00866900

33. Nsc314335

34. S8321

35. Zinc17120697

36. 5-(m-tolyloxy)-2(1h)-pyrimidinone

37. Akos000282153

38. Ccg-266597

39. Cs-7936

40. Sb17288

41. Ncgc00370768-01

42. Ncgc00370768-04

43. As-16416

44. Hy-59047

45. Smr004704144

46. 5-(3-methylphenoxy)- 2(1h)-pyrimidinone

47. Mlr-1023, >=98% (hplc)

48. D06182

49. A899682

50. Q7814266

51. Cp 26154; Nsc 314335; 5-(3-methylphenoxy)-2(1h)-pyrimidinone;mlr 1023

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₀N₂O₂
Molecular Weight	202.21 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	202.074227566 g/mol
Monoisotopic Mass	202.074227566 g/mol
Topological Polar Surface Area	50.7 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	310
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