5-Amino-2-(trifluoromethyl)pyrimidine-4,6-diol
Basic information
- CAS
1513-71-9- Standard SMILES
Nc1c(O)nc(C(F)(F)F)[nH]c1=O- InChIKey
NJYACEGAQHWMFA-UHFFFAOYSA-N- Molecular formula
- C5H4F3N3O2
- Average molar mass
- 195.1 g/mol
- Monoisotopic mass
- 195.02556087
Names & identifiers
- Preferred name
- 5-Amino-2-(trifluoromethyl)pyrimidine-4,6-diol
- IUPAC
- 5-amino-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
- English name
- 5-AMINO-2-(TRIFLUOROMETHYL)PYRIMIDINE-4,6-DIOL
- Molecular formula
- C5H4F3N3O2
- Molecular weight
- 195.1
Names & synonyms
5-amino-2-(trifluoromethyl)pyrimidine-4,6-diol1513-71-95-amino-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one5-Amino-6-hydroxy-2-(trifluoromethyl)pyrimidin-4(3H)-oneNSC54815DTXSID30288233NJYACEGAQHWMFA-UHFFFAOYSA-NNSC-54815AKOS000320560DB-349819AKOS A0602-07064,6-PYRIMIDINEDIOL, 5-AMINO-2-(TRIFLUOROMETHYL)-
Show more names
5-azanyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
Database identifiers
- CAS
1513-71-9- PubChem CID
- 244181
- DTXSID
DTXSID30288233
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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