ChemicalBook--->CAS DataBase List--->5440-00-6

5440-00-6

5440-00-6 Structure

5440-00-6 Structure
IdentificationBack Directory
[Name]

5,6-DIAMINO-1,3-DIMETHYL URACIL
[CAS]

5440-00-6
[Synonyms]

NSC 15493
2,4(1H,3H)
5,6-Diamino-1,3-dimethylurea
4,5-DIAMINO-1,3-DIMETHYLURACIL
1,3-DIMETHYL-5,6-DIAMINOURACIL
5,6-DIAMINO-1,3-DIMETHYL URACIL
Uracil, 5,6-diamino-1,3-dimethyl-
5,6-diamino-1,3-dimethylpyrimidine-2,4-dione
4,5-DiaMino-1,3-diMethylpyriMidine-2,6-dione
5,6-diamino-1,3-dimethyl-pyrimidine-2,4-quinone
3h)-pyrimidinedione,5,6-diamino-1,3-dimethyl-4(1h
5,6-bis(azanyl)-1,3-dimethyl-pyrimidine-2,4-dione
5,6-Diamino-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
5,6-DIAMINO-1,3-DIMETHYLPYRIMIDINE-2,4(1H,3H)-DIONE
1,3-Dimethyl-5,6-diaminopyrimidine-2,4(1H,3H)-dione
2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-1,3-dimethyl-
4,5-Diamino-1,3-dimethyl-2,6-dioxotetrahydropyrimidine
5,6-DiaMino-1,3-diMethyluracil hydrate technical grade
1,3-Dimethyl-5,6-diamino-1,2,3,4-tetrahydropyrimidine-2,4-dione
[EINECS(EC#)]

226-621-9
[Molecular Formula]

C6H10N4O2
[MDL Number]

MFCD00006551
[MOL File]

5440-00-6.mol
[Molecular Weight]

170.17
Chemical PropertiesBack Directory
[Appearance]

Pale Brown Solid
[Melting point ]

210-214 °C (dec.)(lit.)
[Boiling point ]

243.6±50.0℃ (760 Torr)
[density ]

1.350±0.06 g/cm3 (20 ºC 760 Torr)
[Fp ]

101.1±30.1℃
[storage temp. ]

2-30°C
[solubility ]

DMSO, Methanol
[form ]

Solid
[pka]

4.42±0.70(Predicted)
[color ]

Pale Brown
[BRN ]

157451
[InChI]

1S/C6H10N4O2.H2O/c1-9-4(8)3(7)5(11)10(2)6(9)12;/h7-8H2,1-2H3;1H2
[InChIKey]

FNLDCZCNGSQKIC-UHFFFAOYSA-N
[SMILES]

O.CN1C(N)=C(N)C(=O)N(C)C1=O
[EPA Substance Registry System]

2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-1,3-dimethyl- (5440-00-6)
Hazard InformationBack Directory
[Chemical Properties]

Pale Brown Solid
[Uses]

Reactant involved in the synthesis of biologically active molecules including:• ;1H-Imidazol-1-yl substituted 8-phenylxanthines for use as adenosine receptor ligands1• ;Pyrimidinyl purinediones via cyclocondensation2• ;Theophylline derivatives as adenosine receptor antagonists3• ;Pteridine analogs for use as monoamine oxidase B and nitric oxide synthase inhibitors4• ;Fused tricyclic xanthines5• ;Cadmium uraciliminoethylpyridine complexes for use as antiproliferatives against C6 glioma cells6
[Purification Methods]

It recrystallises from EtOH. The hydrochloride has m 310o (from MeOH), and the perchlorate has m 246-248o. [UV: Bredereck et al. Chem Ber 92 583 1959, Taylor et al. J Am Chem Soc 77 2243 1955, Beilstein 25 III/IV 4133.]
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

3
[F ]

10-34
[TSCA ]

TSCA listed
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Cyanoacetic acid
[Preparation Products]

ISOCAFFEINE-->8-(3-Pyridyl)theophyline-->2,4(1H,3H)-Pteridinedione, 1,3-dimethyl-7-phenyl--->4,6-Dimethyl-1H-1,2,3-triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione-->NSC14355
Spectrum DetailBack Directory
[Spectrum Detail]

5,6-Diamino-1,3-dimethyluracil hydrate(5440-00-6)MS
5,6-Diamino-1,3-dimethyluracil hydrate(5440-00-6)IR1
5,6-Diamino-1,3-dimethyluracil hydrate(5440-00-6)IR2
5,6-Diamino-1,3-dimethyluracil hydrate(5440-00-6)Raman
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