Pyrimidine, 2,4-diamino-6-ethyl-5-(p-(trifluoromethoxy)phenyl)-
Basic information
- CAS
49561-95-7- Standard SMILES
CCc1nc(N)nc(N)c1-c1ccc(OC(F)(F)F)cc1- InChIKey
MEJWUWIYHWPDMH-UHFFFAOYSA-N- Molecular formula
- C13H13F3N4O
- Average molar mass
- 298.26 g/mol
- Monoisotopic mass
- 298.10414554
Names & identifiers
- Preferred name
- Pyrimidine, 2,4-diamino-6-ethyl-5-(p-(trifluoromethoxy)phenyl)-
- IUPAC
- 6-ethyl-5-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
- English name
- 6-Ethyl-5-[4-(trifluoromethoxy)phenyl]-2,4-pyrimidinediamine
- Molecular formula
- C13H13F3N4O
- Molecular weight
- 298.26
Names & synonyms
49561-95-7BRN 0690177Pyrimidine, 2,4-diamino-6-ethyl-5-(p-(trifluoromethoxy)phenyl)-DTXSID401978425-25-13-00205 (Beilstein Handbook Reference)2,4-Diamino-6-ethyl-5-[4-trifluoromethoxyphenyl]pyrimidine2,4-Diamino-6-ethyl-5-(4-trifluoromethoxyphenyl)pyrimidineRefChem:377473DTXCID00120333MEJWUWIYHWPDMH-UHFFFAOYSA-N2,4-Diamino-6-ethyl-5-(p-(trifluoromethoxy)phenyl)pyrimidine6-Ethyl-5-(4-(trifluoromethoxy)phenyl)pyrimidine-2,4-diamine
Show more names
6-Ethyl-5-[4-(trifluoromethoxy)phenyl]-2,4-pyrimidinediamine2,4-Pyrimidinediamine, 6-ethyl-5-[4-(trifluoromethoxy)phenyl]-
6-ethyl-5-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine2,4-Pyrimidinediamine, 6-ethyl-5-(4-(trifluoromethoxy)phenyl)-6-Ethyl-5-[4-(trifluoromethoxy)phenyl]-2,4-pyrimidinediamine #
Database identifiers
- CAS
49561-95-7- PubChem CID
- 206306
- DTXSID
DTXSID40197842- Nikkaji
- J85.937K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Boiling point
- 453.1 · 453.1±55.0 °C(Predicted)
- Density
- 1.362 · 1.362±0.06 g/cm3(Predicted)
- pka
- 7.09 · 7.09±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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