2-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-1-morpholin-4-ylethanone;ethanesulfonic acid
Basic information
- CAS
50510-25-3- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1ccc(CC(=O)N2CCOCC2)cc1.CCS(=O)(=O)O- InChIKey
MIKQVBQNVAUZTC-UHFFFAOYSA-N- Molecular formula
- C19H30N6O5S
- Average molar mass
- 454.5 g/mol
- Monoisotopic mass
- 454.19983925
Names & identifiers
- Preferred name
- 2-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-1-morpholin-4-ylethanone;ethanesulfonic acid
- IUPAC
- 2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-1-morpholin-4-ylethanone;ethanesulfonic acid
Names & synonyms
50510-25-3NSC140379DTXSID30301012NSC-140379DS-0128312-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-1-morpholin-4-yl-ethanoneEthanesulfonic acid--2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-(morpholin-4-yl)ethan-1-one (1/1)
Database identifiers
- CAS
50510-25-3- PubChem CID
- 284534
- DTXSID
DTXSID30301012
Properties
Computed structural properties
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 665
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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