CAS 5018-38-2

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Also known as: 5018-38-2, Mfcd00087680, 4,6-dichloro-5-methoxy pyrimidine, 4,6-dichlor-5-methoxypyrimidin, 4,6-dichloro-5-methoxy-pyrimidine, Einecs 225-699-1

Molecular Formula

C₅H₄Cl₂N₂O

Molecular Weight

179.00 g/mol

InChI Key

IJQIGKLDBGKSNT-UHFFFAOYSA-N

1 2D Structure

CAS 5018-38-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4,6-dichloro-5-methoxypyrimidine

2.1.2 InChI

InChI=1S/C5H4Cl2N2O/c1-10-3-4(6)8-2-9-5(3)7/h2H,1H3

2.1.3 InChI Key

IJQIGKLDBGKSNT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(N=CN=C1Cl)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 5018-38-2

2. Mfcd00087680

3. 4,6-dichloro-5-methoxy Pyrimidine

4. 4,6-dichlor-5-methoxypyrimidin

5. 4,6-dichloro-5-methoxy-pyrimidine

6. Einecs 225-699-1

7. Nsc252184

8. Schembl288911

9. Dtxsid90198228

10. 4,6 Dichloro-5-methoxypyrimidine

11. Pyrimidine,6-dichloro-5-methoxy-

12. Act01595

13. Zinc1556932

14. Ab2807

15. Bbl101086

16. Stl554880

17. Akos005256730

18. Cs-w017299

19. Nsc 252184

20. Nsc-252184

21. Ps-3885

22. Sb57235

23. 4,6-dichloro-5-methoxypyrimidine, 97%

24. Sy016071

25. Db-006595

26. Am20100227

27. D4723

28. Ft-0600945

29. 018d382

30. W-105980

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₅H₄Cl₂N₂O
Molecular Weight	179.00 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	177.9700681 g/mol
Monoisotopic Mass	177.9700681 g/mol
Topological Polar Surface Area	35 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	104
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