Methyl 2,4-diaminofuro[2,3-d]pyrimidine-6-carboxylate
Basic information
- CAS
124738-77-8- Standard SMILES
COC(=O)c1cc2c(N)nc(N)nc2o1- InChIKey
ADMIVLQZXBHIKJ-UHFFFAOYSA-N- Molecular formula
- C8H8N4O3
- Average molar mass
- 208.17 g/mol
Names & identifiers
- Preferred name
- Methyl 2,4-diaminofuro[2,3-d]pyrimidine-6-carboxylate
- IUPAC
- methyl 2,4-diaminofuro[2,3-d]pyrimidine-6-carboxylate
- English name
- Furo[2,3-d]pyrimidine-6-carboxylic acid, 2,4-diamino-, methyl ester (9CI)
- Molecular formula
- C8H8N4O3
- Molecular weight
- 208.17
Names & synonyms
124738-77-8Methyl 2,4-diaminofuro[2,3-d]pyrimidine-6-carboxylateFuro[2,3-d]pyrimidine-6-carboxylic acid, 2,4-diamino-, methyl ester (9CI)Methyl2,4-diaminofuro[2,3-d]pyrimidine-6-carboxylateFuro[2,3-d]pyrimidine-6-carboxylic acid, 2,4-diamino-, methyl ester
Database identifiers
- CAS
124738-77-8
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Melting point
- 283 · 283-285 °C
- Boiling point
- 482.3 · 482.3±55.0 °C(Predicted)
- Density
- 1.539 · 1.539±0.06 g/cm3(Predicted)
- pka
- 5.71 · 5.71±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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