Basic information
- Standard SMILES
COCC(C)(C)Nc1nc(Cl)ncc1Br- InChIKey
OQJSEDBZDHWKRK-UHFFFAOYSA-N- Molecular formula
- C9H13BrClN3O
- Average molar mass
- 294.57 g/mol
Names & identifiers
- Preferred name
- (5-Bromo-2-chloro-pyrimidin-4-yl)-(2-methoxy-1,1-dimethyl-ethyl)-amine
- IUPAC
- 5-bromo-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine
Names & synonyms
SCHEMBL12984990OQJSEDBZDHWKRK-UHFFFAOYSA-NDB-107396(5-Bromo-2-chloro-pyrimidin-4-yl)-(2-methoxy-1,1-dimethyl-ethyl)-amine1402446-79-0
Database identifiers
- PubChem CID
- 86672124
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 206
Related reactions
2 records
Compound notes
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