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CHEMISTRY

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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 Formula	C₄H₁₀Cl₂N₆
Molecular Weight	213.07 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	130
Heavy Atom Count	12
Formal Charge	0
Complexity	104
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	3

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