Basic information
- Standard SMILES
N#Cc1c(NCCO)nc(NCCO)nc1N1CC=C(c2ccc(F)cc2)CC1- InChIKey
JXBBTEJLQUHWDP-UHFFFAOYSA-N- Molecular formula
- C20H23FN6O2
- Average molar mass
- 398.4 g/mol
Names & identifiers
- Preferred name
- 4-[4-(4-fluoro-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-2,6-bis-(2-hydroxy-ethylamino)-pyrimidine-5-carbonitrile
- IUPAC
- 4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2,6-bis(2-hydroxyethylamino)pyrimidine-5-carbonitrile
Names & synonyms
SCHEMBL4416921JXBBTEJLQUHWDP-UHFFFAOYSA-N4-[4-(4-fluoro-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-2,6-bis-(2-hydroxy-ethylamino)-pyrimidine-5-carbonitrile
Database identifiers
- PubChem CID
- 18753262
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 589
Related reactions
2 records
Compound notes
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