Ethyl (2-amino-6-chloropyrimidin-4-yl)acetate
Basic information
- CAS
30679-96-0- Standard SMILES
CCOC(=O)Cc1cc(Cl)nc(N)n1- InChIKey
RDRQWXSOLDQRKJ-UHFFFAOYSA-N- Molecular formula
- C8H10ClN3O2
- Average molar mass
- 215.64 g/mol
Names & identifiers
- Preferred name
- Ethyl (2-amino-6-chloropyrimidin-4-yl)acetate
- IUPAC
- ethyl 2-(2-amino-6-chloropyrimidin-4-yl)acetate
- English name
- Ethyl 2-(2-amino-6-chloropyrimidin-4-yl)acetate
- Molecular formula
- C8H10ClN3O2
- Molecular weight
- 215.64
Names & synonyms
Ethyl (2-amino-6-chloropyrimidin-4-yl)acetateETHYL 2-(2-AMINO-6-CHLOROPYRIMIDIN-4-YL)ACETATESCHEMBL8320420RDRQWXSOLDQRKJ-UHFFFAOYSA-Nethyl(2-amino-6-chloropyrimidin-4-yl)acetate4-Pyrimidineacetic acid, 2-amino-6-chloro-, ethyl ester
Database identifiers
- CAS
30679-96-0
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Boiling point
- 385.6 · 385.6±50.0 °C(Predicted)
- Density
- 1.352 · 1.352±0.06 g/cm3(Predicted)
- pka
- 3.06 · 3.06±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…