1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-chloro-5-methylpyrimidin-4-amine

2.1.2 InChI

InChI=1S/C5H6ClN3/c1-3-2-8-5(6)9-4(3)7/h2H,1H3,(H2,7,8,9)

2.1.3 InChI Key

ZCQWIJBRCXQUNP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CN=C(N=C1N)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 14394-70-8

2. 2-chloro-5-methylpyrimidin-4-amine

3. 4-pyrimidinamine, 2-chloro-5-methyl-

4. 2-chloro-4-amino-5-methylpyrimidine

5. Mfcd02683249

6. 4-amino-2-chloro-5-methylpyrimidine, Technical Grade >80per Cent

7. 6-amino-2-chloro-5-methyl Pyrimidine

8. 2-chloro-5-methyl-pyrimidin-4-ylamine

9. Schembl264246

10. Dtxsid80401713

11. 2-chlor-4-amino-5-methylpyrimidin

12. Zinc2583509

13. 2-chloro-5-methyl-4-pyrimidinamine

14. Akos006277765

15. Ac-7571

16. Cs-w002966

17. Pb10226

18. 2-chloro -5-methyl-pyrimidin-4-ylamine

19. Ds-10879

20. Sy002998

21. Db-010234

22. Am20080333

23. Ft-0649015

24. 4-amino-2-chloro-5-methylpyrimidine, Aldrichcpr

25. 394a708

26. Sr-01000654153

27. Sr-01000654153-1

28. W-205601

29. 4-amino-2-chloro-5-methylpyrimidine, Technical Grade >80%

2.3 Create Date

2005-09-14

3 Chemical and Physical Properties

Molecular Formula	C₅H₆ClN₃
Molecular Weight	143.57 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	143.0250249 g/mol
Monoisotopic Mass	143.0250249 g/mol
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	98.2
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

CAS 14394-70-8

CAS 14394-70-8

CHEMISTRY

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