Basic information
- Standard SMILES
CCO/C=C/c1cnc(Cl)nc1NC(C)(C)C- InChIKey
MJNDBZIMQYABLX-VOTSOKGWSA-N- Molecular formula
- C12H18ClN3O
- Average molar mass
- 255.74 g/mol
Names & identifiers
- Preferred name
- N-tert-Butyl-2-chloro-5-[(E)-2-ethoxyvinyl]pyrimidin-4-amine
- IUPAC
- N-tert-butyl-2-chloro-5-[(E)-2-ethoxyethenyl]pyrimidin-4-amine
Names & synonyms
SCHEMBL12984819MJNDBZIMQYABLX-VOTSOKGWSA-NN-tert-Butyl-2-chloro-5-[(E)-2-ethoxyvinyl]pyrimidin-4-amine
Database identifiers
- PubChem CID
- 86672092
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 253
Related reactions
2 records
Compound notes
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