CAS 145783-15-9

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Chemistry

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Also known as: 145783-15-9, 4,6-dichloro-2-propylthiopyrimidine-5-amine, 5-pyrimidinamine, 4,6-dichloro-2-(propylthio)-, 4,6-dichloro-2-propylsulfanylpyrimidin-5-amine, 5-amino-4,6-dichloro-2-(propylthio)pyrimidine, 4,6-dichloro-2-(propylsulfanyl)pyrimidin-5-amine

Molecular Formula

C₇H₉Cl₂N₃S

Molecular Weight

238.14 g/mol

InChI Key

CJJLJBFJNXMANZ-UHFFFAOYSA-N

FDA UNII

QY0S1U6LEG

1 2D Structure

CAS 145783-15-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4,6-dichloro-2-propylsulfanylpyrimidin-5-amine

2.1.2 InChI

InChI=1S/C7H9Cl2N3S/c1-2-3-13-7-11-5(8)4(10)6(9)12-7/h2-3,10H2,1H3

2.1.3 InChI Key

CJJLJBFJNXMANZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCSC1=NC(=C(C(=N1)Cl)N)Cl

2.2 Other Identifiers

2.2.1 UNII

QY0S1U6LEG

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 145783-15-9

2. 4,6-dichloro-2-propylthiopyrimidine-5-amine

3. 5-pyrimidinamine, 4,6-dichloro-2-(propylthio)-

4. 4,6-dichloro-2-propylsulfanylpyrimidin-5-amine

5. 5-amino-4,6-dichloro-2-(propylthio)pyrimidine

6. 4,6-dichloro-2-(propylsulfanyl)pyrimidin-5-amine

7. Qy0s1u6leg

8. Mfcd16875503

9. 4,6-dichloro-2-(propylthio) Pyrimidine-5-amine

10. 4,6-dichloro-2-(propylsulfanyl)-5-pyrimidinamine

11. Unii-qy0s1u6leg

12. Schembl595428

13. Ticagrelor Related Compound 76

14. Ammd00023

15. Dtxsid60465838

16. Bcp20990

17. Cs-m1848

18. Zinc71186810

19. Akos015851287

20. Ex-7178

21. Gs-5899

22. Pb24255

23. Ac-26815

24. Bp-20662

25. Sy023636

26. Db-063627

27. 5-amino-4,6-dichloro-2-propylthiopyrimidine

28. Am20090748

29. Ft-0686722

30. 4,6-dichloro-2-propylthio-pyrimidine-5-amine

31. A846829

32. 4,6-dichloro-2-(propylsulfanyl)-pyrimidin-5-amine

33. J-514127

34. 4,6-dichloro-2-propylthiopyrimidine-5-amine, Aldrichcpr

35. Ticagrelor, Ticagrelor Intermediates, Cas:145783-15-9, 4,6-dichloro-2-(propylthio)pyrimidin-5-amine

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₉Cl₂N₃S
Molecular Weight	238.14 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	236.9894239 g/mol
Monoisotopic Mass	236.9894239 g/mol
Topological Polar Surface Area	77.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	149
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