2-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-piperidin-1-ylethanone;ethanesulfonic acid
Basic information
- CAS
50507-99-8- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1ccc(OCC(=O)N2CCCCC2)cc1.CCS(=O)(=O)O- InChIKey
XCPBXNPWRLPHAY-UHFFFAOYSA-N- Molecular formula
- C20H32N6O5S
- Average molar mass
- 468.6 g/mol
- Monoisotopic mass
- 468.21548932
Names & identifiers
- Preferred name
- 2-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-piperidin-1-ylethanone;ethanesulfonic acid
- IUPAC
- 2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-piperidin-1-ylethanone;ethanesulfonic acid
Names & synonyms
50507-99-8NSC143009DTXSID10301393NSC-143009DS-0038572-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-(1-piperidyl)ethanoneEthanesulfonic acid--2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]-1-(piperidin-1-yl)ethan-1-one (1/1)
Database identifiers
- CAS
50507-99-8- PubChem CID
- 285689
- DTXSID
DTXSID10301393
Properties
Computed structural properties
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 679
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Compound notes
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