6-Phenyl-5-(4-phenylbutyl)pyrimidine-2,4-diamine
Basic information
- CAS
2360-69-2- Standard SMILES
Nc1nc(N)c(CCCCc2ccccc2)c(-c2ccccc2)n1- InChIKey
QCLPYMBPULHWIG-UHFFFAOYSA-N- Molecular formula
- C20H22N4
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.18444672
Names & identifiers
- Preferred name
- 6-Phenyl-5-(4-phenylbutyl)pyrimidine-2,4-diamine
- IUPAC
- 6-phenyl-5-(4-phenylbutyl)pyrimidine-2,4-diamine
Names & synonyms
2360-69-26-phenyl-5-(4-phenylbutyl)pyrimidine-2,4-diamineNSC90606DTXSID70293548NSC-90606
Database identifiers
- CAS
2360-69-2- PubChem CID
- 259882
- DTXSID
DTXSID70293548
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 350
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Compound notes
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