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2D Structure
Also known as: 138588-40-6, Pyrimidine-2-carboximidamide hydrochloride, 2-amidinopyrimidine, hcl, 2-pyrimidinecarboximidamide hydrochloride, Pyrimidine-2-carboximidamide;hydrochloride, 2-pyrimidinecarboximidamide, monohydrochloride
Molecular Formula
C5H7ClN4
Molecular Weight
158.59  g/mol
InChI Key
LZIYBABLVXXFGZ-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
pyrimidine-2-carboximidamide;hydrochloride
2.1.2 InChI
InChI=1S/C5H6N4.ClH/c6-4(7)5-8-2-1-3-9-5;/h1-3H,(H3,6,7);1H
2.1.3 InChI Key
LZIYBABLVXXFGZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CN=C(N=C1)C(=N)N.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 138588-40-6

2. Pyrimidine-2-carboximidamide Hydrochloride

3. 2-amidinopyrimidine, Hcl

4. 2-pyrimidinecarboximidamide Hydrochloride

5. Pyrimidine-2-carboximidamide;hydrochloride

6. 2-pyrimidinecarboximidamide, Monohydrochloride

7. 2-pyrimidinecarboximidamide, Hydrochloride (1:1)

8. Mfcd02677965

9. Pyrimidine-2-carboxamidine Hydrochloride

10. 2-amidinopyrimidinehydrochloride

11. 2-amidino Pyrimidine Hydrochloride

12. Pyrimidine2-carboxamidine Hcl

13. Schembl628534

14. Dtxsid30621166

15. Bcp08838

16. Cs-m1221

17. Akos015844084

18. Pyrimidin-2-carboxamidine Hydrochloride

19. Ac-6946

20. Ne-0702

21. Sy101920

22. Db-027710

23. Methyl4-trifluoromethylbenzoylacetate

24. Am20120505

25. Ft-0600167

26. En300-61410

27. 588a406

28. Pyrimidine-2-carboximidamide--hydrogen Chloride (1/1)

29. F8889-9269

30. Z992717154

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 158.59 g/mol
Molecular Formula C5H7ClN4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass158.0359239 g/mol
Monoisotopic Mass158.0359239 g/mol
Topological Polar Surface Area75.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity106
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2