5-(3-Anilinopropyl)-4-phenylpyrimidin-2-amine
Basic information
- CAS
4455-56-5- Standard SMILES
Nc1ncc(CCCNc2ccccc2)c(-c2ccccc2)n1- InChIKey
DYOZGHAKUAVIPH-UHFFFAOYSA-N- Molecular formula
- C19H20N4
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.16879665
Names & identifiers
- Preferred name
- 5-(3-Anilinopropyl)-4-phenylpyrimidin-2-amine
- IUPAC
- 5-(3-anilinopropyl)-4-phenylpyrimidin-2-amine
Names & synonyms
5-(3-anilinopropyl)-4-phenylpyrimidin-2-amine4455-56-5NSC211259DTXSID20330174NSC-211259
Database identifiers
- CAS
4455-56-5- PubChem CID
- 427348
- DTXSID
DTXSID20330174
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 323
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Compound notes
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