SoRI 8897
Basic information
- CAS
174654-98-9- Standard SMILES
COc1ccc(C(F)(F)F)cc1NCc1cnc2nc(N)nc(N)c2c1C- InChIKey
XNEOAXKYJADVSI-UHFFFAOYSA-N- Molecular formula
- C17H17F3N6O
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.14159367
Overview
RN in first source
Names & identifiers
- Preferred name
- SoRI 8897
- IUPAC
- 6-[[2-methoxy-5-(trifluoromethyl)anilino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Names & synonyms
174654-98-9SoRI 8897SoRI8897SoRI-8897DTXSID50169873RefChem:184479DTXCID60923646-[[2-methoxy-5-(trifluoromethyl)anilino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamineCHEMBL2816486-({[2-methoxy-5-(trifluoromethyl)phenyl]amino}methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine6-(((2-Methoxy-5-(trifluoromethyl)phenyl)amino)methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine6-{[2-Methoxy-5-(trifluoromethyl)anilino]methyl}-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Show more names
BDBM500504195-Methyl-6-[[2-methoxy-5-(trifluoromethyl)phenyl]aminomethyl]pyrido[2,3-d]pyrimidine-2,4-diamine6-((((2-methoxy-5-tri-fluoromethyl)phenyl)amino)methyl)-2,4-diamino-5-methylpyrido(2,3-d)pyrimidine6-[(2-Methoxy-5-trifluoromethyl-phenylamino)-methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine6-[(2-Methoxy-5-trifluoromethylphenylamino)methyl]-2,4-diamino-5-methylpyrido[2,3-d]pyrimidine6-[[2-methoxy-5-(trifluoromethyl)anilino]methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
Database identifiers
- CAS
174654-98-9- PubChem CID
- 72509
- DTXSID
DTXSID50169873- ChEMBL
CHEMBL281648- Nikkaji
- J1.031.368F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 496
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Related reactions
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Compound notes
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