2-Pyrimidinamine, 4,6-bis((1-methyl-4-piperidinyl)oxy)-5-(methylthio)-N,N-diethyl-, hydrobromide, hydrate (1:2:1)
Basic information
- CAS
57259-13-9- Standard SMILES
Br.Br.CCN(CC)c1nc(OC2CCN(C)CC2)c(SC)c(OC2CCN(C)CC2)n1- InChIKey
PLAXNVYOYCZZSM-UHFFFAOYSA-N- Molecular formula
- C21H39Br2N5O2S
- Average molar mass
- 585.4 g/mol
- Monoisotopic mass
- 583.11912
Names & identifiers
- Preferred name
- 2-Pyrimidinamine, 4,6-bis((1-methyl-4-piperidinyl)oxy)-5-(methylthio)-N,N-diethyl-, hydrobromide, hydrate (1:2:1)
- IUPAC
- N,N-diethyl-4,6-bis[(1-methylpiperidin-4-yl)oxy]-5-methylsulfanylpyrimidin-2-amine;dihydrobromide
Names & synonyms
2-Pyrimidinamine, 4,6-bis((1-methyl-4-piperidinyl)oxy)-5-(methylthio)-N,N-diethyl-, hydrobromide, hydrate (1:2:1)2-Diaethylamino-4,6-di((4')-N-methylpiperidyl)-oxy-5-methylthiopyrimidin dihydrobromid H2O57259-13-9DTXSID90205865RefChem:266664DTXCID20128356N,N-Diethyl-4,6-bis[(1-methylpiperidin-4-yl)oxy]-5-(methylsulfanyl)pyrimidin-2-amine--hydrogen bromide (1/2)
Database identifiers
- CAS
57259-13-9- PubChem CID
- 3044409
- DTXSID
DTXSID90205865
Properties
Computed structural properties
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 434
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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