Hexyl 4-(dimethylamino)-2-phenylpyrimidine-5-carboxylate
Basic information
- CAS
823792-90-1- Standard SMILES
CCCCCCOC(=O)c1cnc(-c2ccccc2)nc1N(C)C- InChIKey
KIZJDNDMMXRNQS-UHFFFAOYSA-N- Molecular formula
- C19H25N3O2
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.19467705
Names & identifiers
- Preferred name
- Hexyl 4-(dimethylamino)-2-phenylpyrimidine-5-carboxylate
- IUPAC
- hexyl 4-(dimethylamino)-2-phenylpyrimidine-5-carboxylate
Names & synonyms
SCHEMBL8294621DTXSID80732251HEXYL 4-(DIMETHYLAMINO)-2-PHENYLPYRIMIDINE-5-CARBOXYLATE
Database identifiers
- CAS
823792-90-1- PubChem CID
- 59517596
- DTXSID
DTXSID80732251
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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