N4-Phenyl-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine
Basic information
- Standard SMILES
COc1cc(Nc2nccc(Nc3ccccc3)n2)cc(OC)c1OC- InChIKey
WVYAHFUWKFITBR-UHFFFAOYSA-N- Molecular formula
- C19H20N4O3
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.15354051
Names & identifiers
- Preferred name
- N4-Phenyl-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine
- IUPAC
- 4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
Names & synonyms
SCHEMBL6981464WVYAHFUWKFITBR-UHFFFAOYSA-NSR-01000649744SR-01000649744-1N4-Phenyl-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine
Database identifiers
- PubChem CID
- 21995345
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 394
Related reactions
3 records
Compound notes
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