2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2),N(sup 2)-diethyl-5-(methylthio)-, monohydrobromide
Basic information
- CAS
55417-05-5- Standard SMILES
Br.CCN(CC)c1nc(Cl)c(SC)c(NCCN(C(C)C)C(C)C)n1- InChIKey
SNTPOXIUCODPEW-UHFFFAOYSA-N- Molecular formula
- C17H33BrClN5S
- Average molar mass
- 454.9 g/mol
- Monoisotopic mass
- 453.13286
Names & identifiers
- Preferred name
- 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2),N(sup 2)-diethyl-5-(methylthio)-, monohydrobromide
- IUPAC
- 6-chloro-4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-5-methylsulfanylpyrimidine-2,4-diamine;hydrobromide
Names & synonyms
2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2),N(sup 2)-diethyl-5-(methylthio)-, monohydrobromide2-Diethylamino-4-(2'-diisopropylamino)ethylamino-5-methylthio-6-chloropyrimidine hydrobromide55417-05-5DTXSID70203985RefChem:246939DTXCID001264766-Chloro-N~4~-{2-[di(propan-2-yl)amino]ethyl}-N~2~,N~2~-diethyl-5-(methylsulfanyl)pyrimidine-2,4-diamine--hydrogen bromide (1/1)
Database identifiers
- CAS
55417-05-5- PubChem CID
- 3043370
- DTXSID
DTXSID70203985
Properties
Computed structural properties
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 333
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Compound notes
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