Basic information
- Standard SMILES
Fc1cnc(Nc2ccc3c(c2)OCCO3)nc1Nc1ccc2c(c1)OCCO2- InChIKey
TXVLLRLKDITHQD-UHFFFAOYSA-N- Molecular formula
- C20H17FN4O4
- Average molar mass
- 396.4 g/mol
Names & identifiers
- Preferred name
- N2,N4-bis(3,4-ethylenedioxyphenyl)-5-fluoro-2,4-pyrimidinediamine
- IUPAC
- 2-N,4-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoropyrimidine-2,4-diamine
Names & synonyms
SCHEMBL656467SCHEMBL31294168TXVLLRLKDITHQD-UHFFFAOYSA-NZINC03817469N2,N4-bis(3,4-ethylenedioxyphenyl)-5-fluoro-2,4-pyrimidinediamine
Database identifiers
- PubChem CID
- 11596383
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 547
Related reactions
24 records
Compound notes
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