5-(3-Phenoxypropyl)-6-phenylpyrimidine-2,4-diamine
Basic information
- CAS
47341-12-8- Standard SMILES
Nc1nc(N)c(CCCOc2ccccc2)c(-c2ccccc2)n1- InChIKey
ZLJUKBBFEAIXRJ-UHFFFAOYSA-N- Molecular formula
- C19H20N4O
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.16371127
Names & identifiers
- Preferred name
- 5-(3-Phenoxypropyl)-6-phenylpyrimidine-2,4-diamine
- IUPAC
- 5-(3-phenoxypropyl)-6-phenylpyrimidine-2,4-diamine
Names & synonyms
NSC21133447341-12-85-(3-phenoxypropyl)-6-phenylpyrimidine-2,4-diamineDTXSID30309210NSC-211334
Database identifiers
- CAS
47341-12-8- PubChem CID
- 309162
- DTXSID
DTXSID30309210
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…