Basic information
- Standard SMILES
Cc1cccc(Nc2cc(Nc3ccc(O)cc3)ncn2)c1- InChIKey
VTFSVXDMPANRPH-UHFFFAOYSA-N- Molecular formula
- C17H16N4O
- Average molar mass
- 292.33 g/mol
- Monoisotopic mass
- 292.13241115
Names & identifiers
- Preferred name
- 4-[4'-Hydroxyanilino]6-(3'-methylanilino)pyrimidine
- IUPAC
- 4-[[6-(3-methylanilino)pyrimidin-4-yl]amino]phenol
Names & synonyms
SCHEMBL7777342VTFSVXDMPANRPH-UHFFFAOYSA-N4-(4'-hydroxyanilino)-6-(3'-methylanilino)pyrimidine4-[4'-hydroxyanilino]6-(3'-methylanilino)pyrimidine
Database identifiers
- PubChem CID
- 54409692
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 333
Related reactions
3 records
Compound notes
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