4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(3-pyridinylmethyl)-, trihydrochloride
Basic information
- CAS
64107-53-5- Standard SMILES
Cc1[nH]cnc1CSCCNc1ncc(Cc2cccnc2)c(=O)[nH]1.Cl.Cl.Cl- InChIKey
ROQJWJJTTQDQJY-UHFFFAOYSA-N- Molecular formula
- C17H23Cl3N6OS
- Average molar mass
- 465.8 g/mol
- Monoisotopic mass
- 464.071964
Names & identifiers
- Preferred name
- 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(3-pyridinylmethyl)-, trihydrochloride
- IUPAC
- 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one;trihydrochloride
Names & synonyms
4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(3-pyridinylmethyl)-, trihydrochloride64107-53-5DTXSID10214313RefChem:283570DTXCID10136804SCHEMBL110145652-[(2-{[(5-Methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)amino]-5-[(pyridin-3-yl)methyl]pyrimidin-4(3H)-one--hydrogen chloride (1/3)
Database identifiers
- CAS
64107-53-5- PubChem CID
- 3048907
- DTXSID
DTXSID10214313
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 523
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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