Basic information
- CAS
165806-51-9- Standard SMILES
Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2CC2CC2)n1- InChIKey
DFEYXQGDDCDXJK-UHFFFAOYSA-N- Molecular formula
- C17H16FN5
- Average molar mass
- 309.34 g/mol
- Monoisotopic mass
- 309.13897369
Names & identifiers
- Preferred name
- 4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
- IUPAC
- 4-[3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine
Names & synonyms
4-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL-5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE4-[3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amineR37TCQ1HFT4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine4-[1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1h-imidazol-5-yl]pyrimidin-2-amine4-(3-(Cyclopropylmethyl)-5-(4-fluorophenyl)imidazol-4-yl)pyrimidin-2-amine2-Pyrimidinamine, 4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)-RefChem:510245165806-51-91bmkSB-218655SB 218655
Show more names
C14316UNII-R37TCQ1HFTCHEMBL590753SCHEMBL4323457SCHEMBL30583155BDBM15238DTXSID50274456sb218655
Database identifiers
- CAS
165806-51-9- PubChem CID
- 5172
- DTXSID
DTXSID50274456- ChEMBL
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 396
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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