ChemicalBook--->CAS DataBase List--->7597-60-6

7597-60-6

7597-60-6 Structure

7597-60-6 Structure
IdentificationBack Directory
[Name]

6-amino-5-formamido-1,3-dimethyluracil
[CAS]

7597-60-6
[Synonyms]

Einecs 231-501-4
Caffeine Impurity B
Caffeine impurity 1
C7H10N4O3, M.W:198.18
Caffeine EP Impurity B
Theophylline EP Impurity C
Theophylline USP Related Compound C
Formyl 1,3-dimethyl-5,6-diaminouracil
1,3-Dimethyl-4-amino-5-formyl urazine
6-amino-5-formamido-1,3-dimethyluracil
Theophylline-Ethylenediamine Impurity C
Theophylline-Ethylenediamine EP Impurity C
6-AMino-5-1,3-diMethyl-5-(forMaMido)uracil
6-AMINO-1,3-DIMETHYL-5-(FORMYLAMINO)URACIL
Caffeine Impurity 2(Caffeine EP Impurity B)
6-Amino-5-(N-Formylamino)-1,3-Dimethyl Uracil
Caffeine Impurity B/Theophylline EP Impurity C
N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)formamide
6-Amino-1,3-dimethyl-5-(formylamino) uracil (Caffeine Imp B) solution
N-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)formamide
N-[(6-Amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxopyrimidin)-5-yl]formamide
Formamide, N-(6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)-
Theophylline-ethylenediamine Impurity 3(Theophylline-ethylenediamine EP Impurity C)
c . N-(6-a mi no-1,3-d i me th yl-2,4-d i oxo-1,2,3,4-te tra h yd ropyri mi d i n-5-yl)f orma mi d e ,
Theophylline Related Compound C (N-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl (1653037)
[EINECS(EC#)]

231-501-4
[Molecular Formula]

C7H10N4O3
[MDL Number]

MFCD00068888
[MOL File]

7597-60-6.mol
[Molecular Weight]

198.18
Chemical PropertiesBack Directory
[Melting point ]

265-267℃
[Boiling point ]

347.5±52.0 °C(Predicted)
[density ]

1.46±0.1 g/cm3 (20 ºC 760 Torr)
[storage temp. ]

-20°C
[solubility ]

DMSO (Slightly), Methanol (Slightly), Water (Slightly)
[form ]

Solid
[pka]

12.58±0.20(Predicted)
[color ]

White to Off-White
[Stability:]

Hygroscopic
[InChI]

InChI=1S/C7H10N4O3/c1-10-5(8)4(9-3-12)6(13)11(2)7(10)14/h3H,8H2,1-2H3,(H,9,12)
[InChIKey]

ZNDGAXCBZGSJGU-UHFFFAOYSA-N
[SMILES]

C(NC1=C(N)N(C)C(=O)N(C)C1=O)=O
Safety DataBack Directory
[RIDADR ]

UN 1648 3 / PGII
[HS Code ]

2933599550
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Tetrabutyl ammonium chloride-->Uracil-->Formic acid-->1,3-Dimethyluracil
[Preparation Products]

Theophylline
Hazard InformationBack Directory
[Uses]

6-Amino-5-1,3-dimethyl-5-(formamido)uracil is a substitued uracilic metabolite of methylxanthine and is also a metabolite of Theophylline (T343850). 6-Amino-5-1,3-dimethyl-5-(formamido)uracil has been used for the synthesis of 8-arylaminotheophyllines.
[Definition]

ChEBI: 6-Amino-5-formamido-1,3-dimethyluracil is an aromatic amide.
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