Basic information
- CAS
1597-00-8- Standard SMILES
Nc1nc(N)c(CCCCc2ccccc2)c(N)n1- InChIKey
XDVRXWVIQZDMRG-UHFFFAOYSA-N- Molecular formula
- C14H19N5
- Average molar mass
- 257.33 g/mol
- Monoisotopic mass
- 257.16404563
Names & identifiers
- Preferred name
- 2,4,6-Pyrimidinetriamine, 5-(4-phenylbutyl)-
- IUPAC
- 5-(4-phenylbutyl)pyrimidine-2,4,6-triamine
Names & synonyms
1597-00-82,4,6-Pyrimidinetriamine, 5-(4-phenylbutyl)-NSC898185-(4-phenylbutyl)pyrimidine-2,4,6-triamine6LJ97GCD83NSC 89818NSC-89818UNII-6LJ97GCD832,4,6-Triamino-5-(4-phenylbutyl)pyrimidine5-(4-phenylbutyl)-2,4,6-pyrimidinetriamineNCIStruc1_000885NCIStruc2_000516
Show more names
CHEMBL1520603DTXSID60166712NCI89818CCG-36683NCGC00013941NCGC00013941-02NCGC00097050-01NCI60_041994
Database identifiers
- CAS
1597-00-8- PubChem CID
- 259669
- DTXSID
DTXSID60166712- ChEMBL
CHEMBL1520603- UNII
- 6LJ97GCD83
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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