2-Amino-5-[2-(2,4-difluorophenyl)diazenyl]-4,6-pyrimidinediol
Basic information
- CAS
339016-26-1- Standard SMILES
Nc1nc(O)c(N=Nc2ccc(F)cc2F)c(=O)[nH]1- InChIKey
FMZMGLRALJAFFM-UHFFFAOYSA-N- Molecular formula
- C10H7F2N5O2
- Average molar mass
- 267.19 g/mol
- Monoisotopic mass
- 267.05678081
Names & identifiers
- Preferred name
- 2-Amino-5-[2-(2,4-difluorophenyl)diazenyl]-4,6-pyrimidinediol
- IUPAC
- 2-amino-5-[(2,4-difluorophenyl)diazenyl]-4-hydroxy-1H-pyrimidin-6-one
- English name
- 2-Amino-5-[2-(2,4-difluorophenyl)diazenyl]-4,6-pyrimidinediol
- Molecular formula
- C10H7F2N5O2
- Molecular weight
- 267.19
Names & synonyms
2-amino-5-[2-(2,4-difluorophenyl)diazenyl]-4,6-pyrimidinediol339016-26-12-amino-5-[(2,4-difluorophenyl)diazenyl]-4-hydroxy-1H-pyrimidin-6-oneDTXSID101150835AKOS0051009217L-8512-Amino-5-[(2,4-difluorophenyl)diazenyl]-6-hydroxypyrimidin-4(3H)-one2-amino-5-[(E)-2-(2,4-difluorophenyl)diazen-1-yl]pyrimidine-4,6-diol2-Amino-5-[2-(2,4-difluorophenyl)diazenyl]-6-hydroxy-4(3H)-pyrimidinone4(3H)-Pyrimidinone, 2-amino-5-[2-(2,4-difluorophenyl)diazenyl]-6-hydroxy-
Database identifiers
- CAS
339016-26-1- PubChem CID
- 3639746
- DTXSID
DTXSID101150835
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 477
Physicochemical properties
- Density
- 1.75 · 1.75±0.1 g/cm3(Predicted)
- pka
- 4.4 · 4.40±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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