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Basic information
- CAS
2413-85-6- Standard SMILES
CCCCNc1nc(Cl)nc(C(F)(F)F)c1N- InChIKey
OWYNPCBYGKVBPM-UHFFFAOYSA-N- Molecular formula
- C9H12ClF3N4
- Average molar mass
- 268.67 g/mol
- Monoisotopic mass
- 268.0702586
Names & identifiers
- Preferred name
- n4-Butyl-2-chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine
- IUPAC
- 4-N-butyl-2-chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine
Names & synonyms
2413-85-6n4-butyl-2-chloro-6-(trifluoromethyl)pyrimidine-4,5-diamineNSC67632DTXSID80290240NSC-67632N~4~-Butyl-2-chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine
Database identifiers
- CAS
2413-85-6- PubChem CID
- 249362
- DTXSID
DTXSID80290240
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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