CAS 52998-22-8

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Also known as: 52998-22-8, 5,6-diamino-1,3-diethylpyrimidine-2,4(1h,3h)-dione, 5,6-diamino-1,3-diethylpyrimidine-2,4-dione, 5,6-diamino-1,3-diethyluracil, 5,6-diamino-1,3-diethyl-2,4(1h,3h)-pyrimidinedione, 2,4(1h,3h)-pyrimidinedione, 5,6-diamino-1,3-diethyl-

Molecular Formula

C₈H₁₄N₄O₂

Molecular Weight

198.22 g/mol

InChI Key

UYSUETCFMBIADB-UHFFFAOYSA-N

1 2D Structure

CAS 52998-22-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5,6-diamino-1,3-diethylpyrimidine-2,4-dione

2.1.2 InChI

InChI=1S/C8H14N4O2/c1-3-11-6(10)5(9)7(13)12(4-2)8(11)14/h3-4,9-10H2,1-2H3

2.1.3 InChI Key

UYSUETCFMBIADB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCN1C(=C(C(=O)N(C1=O)CC)N)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 52998-22-8

2. 5,6-diamino-1,3-diethylpyrimidine-2,4(1h,3h)-dione

3. 5,6-diamino-1,3-diethylpyrimidine-2,4-dione

4. 5,6-diamino-1,3-diethyluracil

5. 5,6-diamino-1,3-diethyl-2,4(1h,3h)-pyrimidinedione

6. 2,4(1h,3h)-pyrimidinedione, 5,6-diamino-1,3-diethyl-

7. 5,6-diamino-1,3-diethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

8. 1,3-diethyl-5,6-aminouracil

9. Mfcd00091838

10. 5,6-diamino-1,3diethyluracil

11. Amy828

12. Schembl3399025

13. Dtxsid90404391

14. 5,6-diamino-1,3 -diethyluracil

15. Akos005071792

16. Cl-0799

17. Sb55850

18. Ft-0666758

19. W-203000

2.3 Create Date

2005-09-15

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₄N₄O₂
Molecular Weight	198.22 g/mol
XLogP3	-0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	92.7
Heavy Atom Count	14
Formal Charge	0
Complexity	311
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	1