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Basic information
- Standard SMILES
CCc1cc(C(C)Sc2nc(N)cc(Cl)n2)ncc1OC- InChIKey
ODJAGXPDRAGQPL-UHFFFAOYSA-N- Molecular formula
- C14H17ClN4OS
- Average molar mass
- 324.8 g/mol
Names & identifiers
- Preferred name
- 6-Chloro-2-[1-(4-ethyl-5-methoxy-2-pyridyl)ethylsulfanyl]pyrimidin-4-amine
- IUPAC
- 6-chloro-2-[1-(4-ethyl-5-methoxy-2-pyridinyl)ethylsulfanyl]pyrimidin-4-amine
Names & synonyms
SCHEMBL6641504ODJAGXPDRAGQPL-UHFFFAOYSA-N4-Amino-6-chloro-2-(1-(4-ethyl-5-methoxy-2-pyridyl)ethyl)thio-pyrimidine4-Pyrimidinamine, 6-chloro-2-[[1-(4-ethyl-5-methoxy-2-pyridinyl)ethyl]thio]-6-chloro-2-[1-(4-ethyl-5-methoxy-2-pyridyl)ethylsulfanyl]pyrimidin-4-amine
Database identifiers
- PubChem CID
- 492803
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 325
Related reactions
2 records
Compound notes
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