Basic information
- Standard SMILES
Oc1cccc(Nc2nc(NCCc3c[nH]c4ccccc34)ncc2F)c1- InChIKey
MGZYOHJQZDNRJK-UHFFFAOYSA-N- Molecular formula
- C20H18FN5O
- Average molar mass
- 363.4 g/mol
Names & identifiers
- Preferred name
- 5-fluoro-N4-(3-hydroxyphenyl)-N2-[2-(indol-3-yl)ethyl]-2,4-pyrimidinediamine
- IUPAC
- 3-[[5-fluoro-2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]amino]phenol
Names & synonyms
SCHEMBL655663MGZYOHJQZDNRJK-UHFFFAOYSA-N5-fluoro-N4-(3-hydroxyphenyl)-N2-[2-(indol-3-yl)ethyl]-2,4-pyrimidinediamine
Database identifiers
- PubChem CID
- 22060352
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 470
Related reactions
24 records
Compound notes
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