Basic information
- CAS
2440-80-4- Standard SMILES
Nc1nc(N)c(CCCCc2ccccc2)c(Cc2ccccc2)n1- InChIKey
HUPMNOPXQPCXMA-UHFFFAOYSA-N- Molecular formula
- C21H24N4
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.20009678
Names & identifiers
- Preferred name
- 2,4-Pyrimidinediamine, 5-(4-phenylbutyl)-6-(phenylmethyl)-
- IUPAC
- 6-benzyl-5-(4-phenylbutyl)pyrimidine-2,4-diamine
Names & synonyms
2440-80-46-benzyl-5-(4-phenylbutyl)pyrimidine-2,4-diamine2,4-Pyrimidinediamine, 5-(4-phenylbutyl)-6-(phenylmethyl)-E251AX4ER2NSC91410NSC 91410UNII-E251AX4ER2NSC-914105-(4-Phenylbutyl)-6-(phenylmethyl)-2,4-pyrimidinediamineDTXSID10179155PYRIMIDINE, 2,4-DIAMINO-6-BENZYL-5-(4-PHENYLBUTYL)-
Database identifiers
- CAS
2440-80-4- PubChem CID
- 260321
- DTXSID
DTXSID10179155- UNII
- E251AX4ER2
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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