Ethyl 2-amino-8-methyl-7-oxo-7,8-dihydropteridine-6-carboxylate
Basic information
- CAS
2539-49-3- Standard SMILES
CCOC(=O)c1nc2cnc(N)nc2n(C)c1=O- InChIKey
CQSLZDBKZAHHFD-UHFFFAOYSA-N- Molecular formula
- C10H11N5O3
- Average molar mass
- 249.23 g/mol
- Monoisotopic mass
- 249.08618923
Names & identifiers
- Preferred name
- Ethyl 2-amino-8-methyl-7-oxo-7,8-dihydropteridine-6-carboxylate
- IUPAC
- ethyl 2-amino-8-methyl-7-oxopteridine-6-carboxylate
- English name
- ethyl 2-amino-8-methyl-7-oxo-pteridine-6-carboxylate
- Molecular formula
- C10H11N5O3
- Molecular weight
- 249.23
Names & synonyms
2539-49-3ethyl 2-amino-8-methyl-7-oxo-7,8-dihydropteridine-6-carboxylateNSC73522DTXSID40291152NSC-73522ethyl 2-amino-8-methyl-7-oxo-pteridine-6-carboxylate6-Pteridinecarboxylic acid, 2-amino-7,8-dihydro-8-methyl-7-oxo-, ethyl ester
Database identifiers
- CAS
2539-49-3- PubChem CID
- 252170
- DTXSID
DTXSID40291152
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Boiling point
- 496.9 · 496.9±55.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- pka
- 3.13 · 3.13±0.20(Predicted)
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Compound notes
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