2-(2-Phenylethenyl)pyrimidin-5-amine
Basic information
- CAS
54246-67-2- Standard SMILES
Nc1cnc(C=Cc2ccccc2)nc1- InChIKey
VWRFYBJISMFCLR-UHFFFAOYSA-N- Molecular formula
- C12H11N3
- Average molar mass
- 197.24 g/mol
- Monoisotopic mass
- 197.09529736
Names & identifiers
- Preferred name
- 2-(2-Phenylethenyl)pyrimidin-5-amine
- IUPAC
- 2-(2-phenylethenyl)pyrimidin-5-amine
Names & synonyms
2-(2-phenylethenyl)pyrimidin-5-amineDTXSID7012828365-Pyrimidinamine, 2-(2-phenylethenyl)-
Database identifiers
- CAS
54246-67-2- PubChem CID
- 277145
- DTXSID
DTXSID701282836
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 201
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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