CAS 138588-40-6

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Chemistry

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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

CAS 138588-40-6

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 Formula	C₅H₇ClN₄
Molecular Weight	158.59 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	158.0359239 g/mol
Monoisotopic Mass	158.0359239 g/mol
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	106
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