6-Benzyl-5-[3-(phenylamino)propyl]pyrimidine-2,4-diamine
Basic information
- CAS
2360-70-5- Standard SMILES
Nc1nc(N)c(CCCNc2ccccc2)c(Cc2ccccc2)n1- InChIKey
GIYDSGQBMCQPEJ-UHFFFAOYSA-N- Molecular formula
- C20H23N5
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.19534575
Names & identifiers
- Preferred name
- 6-Benzyl-5-[3-(phenylamino)propyl]pyrimidine-2,4-diamine
- IUPAC
- 5-(3-anilinopropyl)-6-benzylpyrimidine-2,4-diamine
Names & synonyms
2360-70-55-(3-anilinopropyl)-6-benzylpyrimidine-2,4-diamine6-benzyl-5-[3-(phenylamino)propyl]pyrimidine-2,4-diamineNSC101190DTXSID50295323NSC-101190
Database identifiers
- CAS
2360-70-5- PubChem CID
- 265304
- DTXSID
DTXSID50295323
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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