Basic information
- Standard SMILES
COc1cc(Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)c(OC)cc1Cl- InChIKey
SXVPAIISYQYBNS-UHFFFAOYSA-N- Molecular formula
- C18H14ClF3N4O2
- Average molar mass
- 410.8 g/mol
Names & identifiers
- Preferred name
- N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
- IUPAC
- N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
Names & synonyms
SCHEMBL14493021SXVPAIISYQYBNS-UHFFFAOYSA-NN-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
Database identifiers
- PubChem CID
- 21304992
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 69.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 502
Related reactions
1 records
Compound notes
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