Basic information
- Standard SMILES
Brc1nccc(N2CCN(C3CCOCC3)CC2)n1- InChIKey
ZVUUHYBTJFFDAB-UHFFFAOYSA-N- Molecular formula
- C13H19BrN4O
- Average molar mass
- 327.22 g/mol
Names & identifiers
- Preferred name
- 2-bromo-4-(4-(tetrahydro-2H-pyran-4-yl)piperazin-1-yl)pyrimidine
- IUPAC
- 2-bromo-4-[4-(oxan-4-yl)piperazin-1-yl]pyrimidine
Names & synonyms
SCHEMBL15416119ZVUUHYBTJFFDAB-UHFFFAOYSA-N2-bromo-4-(4-(tetrahydro-2H-pyran-4-yl)piperazin-1-yl)pyrimidine
Database identifiers
- PubChem CID
- 89924137
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 280
Related reactions
1 records
Compound notes
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