6-(fluoromethyl)-5-methyl-N-{[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl}-4-pyrimidinamine hydrochloride
Basic information
- Standard SMILES
Cc1c(CF)ncnc1NCc1cnc2[nH]c(C(F)(F)F)cc2c1.Cl- InChIKey
HEMMTCMFAFPJIE-UHFFFAOYSA-N- Molecular formula
- C15H14ClF4N5
- Average molar mass
- 375.75 g/mol
Names & identifiers
- Preferred name
- 6-(fluoromethyl)-5-methyl-N-{[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl}-4-pyrimidinamine hydrochloride
- IUPAC
- 6-(fluoromethyl)-5-methyl-N-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]pyrimidin-4-amine;hydrochloride
Names & synonyms
6-(fluoromethyl)-5-methyl-N-{[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl}-4-pyrimidinamine hydrochlorideSCHEMBL13581842
Database identifiers
- PubChem CID
- 70944648
Properties
Computed structural properties
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 421
Related reactions
1 records
Compound notes
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