Basic information
- Standard SMILES
c1cnc(NC2CCN(CC34CC(c5ccccc53)c3ccccc34)CC2)nc1- InChIKey
YSUNNBGQFWUDMM-UHFFFAOYSA-N- Molecular formula
- C25H26N4
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.21574685
Names & identifiers
- Preferred name
- 2-[1-(9,10-Dihydro-9,10-methanoanthracen-9-ylmethyl)-4-piperidylamino]pyrimidine
- IUPAC
- N-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]pyrimidin-2-amine
Names & synonyms
SCHEMBL9030714YSUNNBGQFWUDMM-UHFFFAOYSA-N2-[1-(9,10-Dihydro-9,10-methanoanthracen-9-ylmethyl)-4-piperidylamino]pyrimidine
Database identifiers
- PubChem CID
- 21755892
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 541
Related reactions
2 records
Compound notes
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