Basic information
- Standard SMILES
Oc1cccc(Nc2ccnc(Nc3cccc(O)c3)n2)c1- InChIKey
ILKVXIOBSYPDJN-UHFFFAOYSA-N- Molecular formula
- C16H14N4O2
- Average molar mass
- 294.31 g/mol
- Monoisotopic mass
- 294.1116757
Names & identifiers
- Preferred name
- N2,N4-bis(3-hydroxyphenyl)-2,4-pyrimidinediamine
- IUPAC
- 3-[[2-(3-hydroxyanilino)pyrimidin-4-yl]amino]phenol
Names & synonyms
CHEMBL3402373SCHEMBL656280ILKVXIOBSYPDJN-UHFFFAOYSA-NBDBM50068864N2,N4-bis(3-hydroxyphenyl)-2,4-pyrimidinediamine
Database identifiers
- PubChem CID
- 10149490
- ChEMBL
CHEMBL3402373
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 344
Related reactions
25 records
Compound notes
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