2-N-(6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazin-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
Basic information
- Standard SMILES
CNc1nc(Nc2cnn3c2COC(C)(C)C3)ncc1C(F)(F)F- InChIKey
ITUAIACZHPLOAS-UHFFFAOYSA-N- Molecular formula
- C14H17F3N6O
- Average molar mass
- 342.32 g/mol
Names & identifiers
- Preferred name
- 2-N-(6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazin-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
- IUPAC
- 2-N-(6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazin-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
Names & synonyms
CHEMBL3122105SCHEMBL15528555BDBM504481262-N-(6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazin-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamineN2-(6,6-dimethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-N4-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
Database identifiers
- PubChem CID
- 72201489
- ChEMBL
CHEMBL3122105
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 449
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Related reactions
1 records
Compound notes
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