Basic information
- CAS
72419-31-9- Standard SMILES
CCOC(=O)c1cnc(NC)nc1Cl- InChIKey
DQJLKMDZIGLGBA-UHFFFAOYSA-N- Molecular formula
- C8H10ClN3O2
- Average molar mass
- 215.64 g/mol
- Monoisotopic mass
- 215.0461543
Names & identifiers
- Preferred name
- Ethyl 4-chloro-2-(methylamino)-5-pyrimidinecarboxylate
- IUPAC
- ethyl 4-chloro-2-(methylamino)pyrimidine-5-carboxylate
Names & synonyms
Ethyl 4-chloro-2-(methylamino)-5-pyrimidinecarboxylateSCHEMBL11363820DTXSID30121133472419-31-9ethyl 4-chloro-2-(methylamino)pyrimidine-5-carboxylate
Database identifiers
- CAS
72419-31-9- PubChem CID
- 12901700
- DTXSID
DTXSID301211334
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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