5-(3-Anilinopropyl)-6-phenylpyrimidine-2,4-diamine
Basic information
- CAS
2211-01-0- Standard SMILES
Nc1nc(N)c(CCCNc2ccccc2)c(-c2ccccc2)n1- InChIKey
QPMUHABXBSMKOA-UHFFFAOYSA-N- Molecular formula
- C19H21N5
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.17969569
Names & identifiers
- Preferred name
- 5-(3-Anilinopropyl)-6-phenylpyrimidine-2,4-diamine
- IUPAC
- 5-(3-anilinopropyl)-6-phenylpyrimidine-2,4-diamine
Names & synonyms
2211-01-05-(3-anilinopropyl)-6-phenylpyrimidine-2,4-diamineNSC91787DTXSID202937302,4-Pyrimidinediamine,6-phenyl-5-[3-(phenylamino)propyl]-NSC-91787DS-003648
Database identifiers
- CAS
2211-01-0- PubChem CID
- 260482
- DTXSID
DTXSID20293730
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 352
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Compound notes
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