2-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-pyrrolidin-1-ylethanone;ethanesulfonic acid
Basic information
- CAS
50507-98-7- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1ccc(OCC(=O)N2CCCC2)cc1.CCS(=O)(=O)O- InChIKey
UAAZTSVAXGBUGT-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)phenoxy]-1-pyrrolidin-1-ylethanone;ethanesulfonic acid
- IUPAC
- 2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-pyrrolidin-1-ylethanone;ethanesulfonic acid
Names & synonyms
50507-98-7NSC140382DTXSID70964726NSC-140382DS-0038582-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-pyrrolidin-1-yl-ethanoneEthanesulfonic acid--2-[4-(4,6-diimino-2,2-dimethyl-1,3,5-triazinan-1-yl)phenoxy]-1-(pyrrolidin-1-yl)ethan-1-one (1/1)
Database identifiers
- CAS
50507-98-7- PubChem CID
- 284540
- DTXSID
DTXSID70964726
Properties
Computed structural properties
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 665
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…