1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-(4-phenylbutyl)phenyl)-
Basic information
- CAS
24892-90-8- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2ccccc2)cc1- InChIKey
RHDNKXYQUZIPEI-UHFFFAOYSA-N- Molecular formula
- C21H27N5
- Average molar mass
- 349.5 g/mol
- Monoisotopic mass
- 349.22664588
Names & identifiers
- Preferred name
- 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-(4-phenylbutyl)phenyl)-
- IUPAC
- 6,6-dimethyl-1-[4-(4-phenylbutyl)phenyl]-1,3,5-triazine-2,4-diamine
Names & synonyms
24892-90-8CHEMBL990391,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-(4-phenylbutyl)phenyl)-NSC127153s-Triazine, 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(p-(4-phenylbutyl)phenyl)-MLS002920148SMR0017977451,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-[4-(4-phenylbutyl)phenyl]-s-Triazine, 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-[p-(4-phenylbutyl)phenyl]-6,6-dimethyl-1-[4-(4-phenylbutyl)phenyl]-1,6-dihydro-1,3,5-triazine-2,4-diaminecid_280522SCHEMBL16102719
Show more names
SCHEMBL21171614BDBM96001DTXSID801796026,6-dimethyl-1-[4-(4-phenylbutyl)phenyl]-1,3,5-triazine-2,4-diamine[4-amino-6,6-dimethyl-1-[4-(4-phenylbutyl)phenyl]-s-triazin-2-yl]amine;esylic acid6,6-dimethyl-1-[4-(4-phenylbutyl)phenyl]-1,3,5-triazine-2,4-diamine;ethanesulfonic acid
Database identifiers
- CAS
24892-90-8- PubChem CID
- 280523
- DTXSID
DTXSID80179602- ChEMBL
CHEMBL99039- Nikkaji
- J419.876J
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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