CAS 52853-40-4

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Also known as: 52853-40-4, 6-bromomethyl-pteridine-2,4-diamine hbr, 6-(bromomethyl)-2,4-pteridinediamine hydrobromide, 2,4-diamino-6-(bromomethyl)pteridine hydrobromide, 6-(bromomethyl)-2,4-pteridinediamine hydrobromide (technical grade), 6-bromomethyl-pteridine-2,4-diaminehbr

Molecular Formula

C₇H₈Br₂N₆

Molecular Weight

335.99 g/mol

InChI Key

KMQIBGKVZDBGAH-UHFFFAOYSA-N

1 2D Structure

CAS 52853-40-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-(bromomethyl)pteridine-2,4-diamine;hydrobromide

2.1.2 InChI

InChI=1S/C7H7BrN6.BrH/c8-1-3-2-11-6-4(12-3)5(9)13-7(10)14-6;/h2H,1H2,(H4,9,10,11,13,14);1H

2.1.3 InChI Key

KMQIBGKVZDBGAH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(N=C2C(=NC(=NC2=N1)N)N)CBr.Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 52853-40-4

2. 6-bromomethyl-pteridine-2,4-diamine Hbr

3. 6-(bromomethyl)-2,4-pteridinediamine Hydrobromide

4. 2,4-diamino-6-(bromomethyl)pteridine Hydrobromide

5. 6-(bromomethyl)-2,4-pteridinediamine Hydrobromide (technical Grade)

6. 6-bromomethyl-pteridine-2,4-diaminehbr

7. 6-(bromomethyl)pteridine-2,4-diamine;hydrobromide

8. 2,4-pteridinediamine, 6-(bromomethyl)-, Monohydrobromide

9. 6-(bromomethyl)-2,4-pteridinediamine Hydrobromide, Tech Grade

10. 6-(bromomethyl)pteridine-2,4-diamine (hydrobromide)

11. 6-(bromomethyl)-2,4-diaminopteridine Hydrobromide

12. Schembl1116048

13. Dtxsid00967321

14. Amy42059

15. Bcp09299

16. Cs-b0319

17. Mfcd09833976

18. Nsc253943

19. Akos016001372

20. Nsc-253943

21. As-20012

22. 6-(bromomethyl)pteridine-2,4-diamine Hbr

23. Ft-0663793

24. 2,4-diamino-6-bromomethylpteridine Hydrobromide

25. 6-bromomethyl-2,4-diaminopteridine Hydrobromide

26. 6-bromomethyl-2,4-pteridinediamine Hydrobromide

27. 6-bromomethyl-2, 4-pteridinediamine Hydrobromide

28. (6-bromomethyl)-2,4-pteridinediamine Hydrobromide

29. A851765

30. Ethyl3-(2,4,5-trifluoro-3-methylphenyl)-3-oxopropanoate

31. 2,4-pteridinediamine,6-(bromomethyl)-, Hydrobromide (1:1) ;

32. 6-(bromomethyl)-2-imino-2,3-dihydropteridin-4-amine--hydrogen Bromide (1/1)

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₇H₈Br₂N₆
Molecular Weight	335.99 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	335.91567 g/mol
Monoisotopic Mass	333.91772 g/mol
Topological Polar Surface Area	104 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	203
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	2