Basic information
- Standard SMILES
Oc1ccc(-c2cnc(Nc3ccc4c(c3)OCCO4)nc2Nc2ccc3c(c2)OCCO3)cc1- InChIKey
KJNGLYACBFZITC-UHFFFAOYSA-N- Molecular formula
- C26H22N4O5
- Average molar mass
- 470.5 g/mol
Names & identifiers
- Preferred name
- N2,N4-bis(3,4-ethylenedioxyphenyl)-5-(4-hydroxyphenyl)-2,4-pyrimidinediamine
- IUPAC
- 4-[2,4-bis(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-5-yl]phenol
Names & synonyms
SCHEMBL656964KJNGLYACBFZITC-UHFFFAOYSA-NN2,N4-bis(3,4-ethylenedioxyphenyl)-5-(4-hydroxyphenyl)-2,4-pyrimidinediamine
Database identifiers
- PubChem CID
- 22060239
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 680
Related reactions
25 records
Compound notes
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