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Chemistry

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Also known as: 39944-62-2, 2,4,5,6-tetraaminopyrimidine dihydrochloride, Pyrimidinetetramine, hydrochloride, 52980-67-3, Pyrimidine-2,4,5,6-tetramine;dihydrochloride, Pyrimidine-2,4,5,6-tetramine dihydrochloride
Molecular Formula
C4H10Cl2N6
Molecular Weight
213.07  g/mol
InChI Key
BKYYVSKCYPCEAU-UHFFFAOYSA-N

CAS	52980-67-3
1 2D Structure

CAS	52980-67-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
pyrimidine-2,4,5,6-tetramine;dihydrochloride
2.1.2 InChI
InChI=1S/C4H8N6.2ClH/c5-1-2(6)9-4(8)10-3(1)7;;/h5H2,(H6,6,7,8,9,10);2*1H
2.1.3 InChI Key
BKYYVSKCYPCEAU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1(=C(N=C(N=C1N)N)N)N.Cl.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 39944-62-2

2. 2,4,5,6-tetraaminopyrimidine Dihydrochloride

3. Pyrimidinetetramine, Hydrochloride

4. 52980-67-3

5. Pyrimidine-2,4,5,6-tetramine;dihydrochloride

6. Pyrimidine-2,4,5,6-tetramine Dihydrochloride

7. Ec 619-990-6

8. Pyrimidine, 2,4,5,6-tetraamine, Dihydrochloride

9. Schembl63511

10. 2,4,5,6-pyrimidinetetramine, Hydrochloride (1:2)

11. Dtxsid90494393

12. 2,4,5,6-tetraaminopyrimidine2hcl

13. Akos015892520

14. Am81331

15. Sb58465

16. As-61660

17. Db-015910

18. Cs-0320147

19. Pyrimidine-2,4,5,6-tetraaminedihydrochloride

20. D87791

21. Pyrimidine-2,4,5,6-tetramine--hydrogen Chloride (1/2)

2.3 Create Date
2007-02-07
3 Chemical and Physical Properties
Molecular Weight 213.07 g/mol
Molecular Formula C4H10Cl2N6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area130
Heavy Atom Count12
Formal Charge0
Complexity104
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
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