3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-N,N-diethylpropanamide
Basic information
- Standard SMILES
CCN(CC)C(=O)CCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1- InChIKey
HYKGAJNSYJAELX-UHFFFAOYSA-N- Molecular formula
- C18H28N6O
- Average molar mass
- 344.5 g/mol
- Monoisotopic mass
- 344.23245954
Names & identifiers
- Preferred name
- 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-N,N-diethylpropanamide
- IUPAC
- 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N,N-diethylpropanamide
Names & synonyms
CHEMBL98179DTXSID6013522583-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-N,N-diethylpropanamide
Database identifiers
- PubChem CID
- 284233
- DTXSID
DTXSID601352258- ChEMBL
CHEMBL98179
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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