4-Amino-5-[(ethoxycarbonyl)amino]-1-methyl-d3 Uracil
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Basic information
- CAS
1794768-19-6- Standard SMILES
[2H]C([2H])([2H])n1c(=O)[nH]c(N)c(NC(=O)OCC)c1=O- InChIKey
OJERWLCKFBQUEA-BMSJAHLVSA-N- Molecular formula
- C8H12N4O4
- Average molar mass
- 231.22 g/mol
- Monoisotopic mass
- 231.10468511
Names & identifiers
- Preferred name
- 4-Amino-5-[(ethoxycarbonyl)amino]-1-methyl-d3 Uracil
- IUPAC
- ethyl N-[6-amino-2,4-dioxo-3-(trideuteriomethyl)-1H-pyrimidin-5-yl]carbamate
- English name
- (4-AMino-1,2,3,6-tetrahydro-1-Methyl-d3-2,6-dioxo-5-pyriMidinyl)-carbaMic Acid Ethyl Ester
- Molecular formula
- C8H9D3N4O4
- Molecular weight
- 231.223765334
Names & synonyms
4-Amino-5-[(ethoxycarbonyl)amino]-1-methyl-d3 Uracil1794768-19-6ethyl N-[6-amino-2,4-dioxo-3-(trideuteriomethyl)-1H-pyrimidin-5-yl]carbamate(4-Amino-1,2,3,6-tetrahydro-1-methyl-d3-2,6-dioxo-5-pyrimidinyl)-carbamic Acid Ethyl Ester4-Amino-5-[(ethoxycarbonyl)amino]-1-methyl-d3Uracil
Database identifiers
- CAS
1794768-19-6- PubChem CID
- 71313242
Properties
Computed structural propertiesFilling in
- XLogP
- -1.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- form
- Powder
- color
- White
Chemistry & industry
Applications
UsesIntermediate in the preparation of caffeine metabolites.
Related reactions
0 records
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Compound notes
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