Basic information
- CAS
141789-57-3- Standard SMILES
CCCCCCCCCCc1cnc(-c2ccc(CBr)cc2)nc1- InChIKey
PTCAUIPTRYMTQH-UHFFFAOYSA-N- Molecular formula
- C21H29BrN2
- Average molar mass
- 389.4 g/mol
- Monoisotopic mass
- 388.15141
Names & identifiers
- Preferred name
- 2-[4-(Bromomethyl)phenyl]-5-decylpyrimidine
- IUPAC
- 2-[4-(bromomethyl)phenyl]-5-decylpyrimidine
Names & synonyms
141789-57-32-[4-(BROMOMETHYL)PHENYL]-5-DECYLPYRIMIDINESCHEMBL8535994DTXSID20597801
Database identifiers
- CAS
141789-57-3- PubChem CID
- 19070010
- DTXSID
DTXSID20597801
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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