Basic information
- Standard SMILES
Nc1ncc(Br)c(NC2CCOCC2)n1- InChIKey
GSHHIBQCCRUPMU-UHFFFAOYSA-N- Molecular formula
- C9H13BrN4O
- Average molar mass
- 273.13 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-N4-(tetrahydro-pyran-4-yl)-pyrimidine-2,4-diamine
- IUPAC
- 5-bromo-4-N-(oxan-4-yl)pyrimidine-2,4-diamine
Names & synonyms
5-Bromo-N4-(tetrahydro-pyran-4-yl)-pyrimidine-2,4-diamine1169698-56-9SCHEMBL2920650GSHHIBQCCRUPMU-UHFFFAOYSA-NAKOS019358182DA-47614
Database identifiers
- PubChem CID
- 58299673
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 201
Related reactions
4 records
Compound notes
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