2-[[2-(Dipropylamino)ethyl]thio]-6-hydroxy-5-propyl-4(3H)-pyrimidinone
Basic information
- CAS
423749-17-1- Standard SMILES
CCCc1c(O)nc(SCCN(CCC)CCC)[nH]c1=O- InChIKey
YZPDKTLBNSCOME-UHFFFAOYSA-N- Molecular formula
- C15H27N3O2S
- Average molar mass
- 313.5 g/mol
- Monoisotopic mass
- 313.18239829
Names & identifiers
- Preferred name
- 2-[[2-(Dipropylamino)ethyl]thio]-6-hydroxy-5-propyl-4(3H)-pyrimidinone
- IUPAC
- 2-[2-(dipropylamino)ethylsulfanyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
Names & synonyms
423749-17-12-[[2-(Dipropylamino)ethyl]thio]-6-hydroxy-5-propyl-4(3H)-pyrimidinoneCBMicro_038788Oprea1_489110CHEMBL1620346DTXSID901155077AKOS000567184BIM-0038994.P001ST507593392-[2-(dipropylamino)ethylthio]-6-hydroxy-5-propyl-3-hydropyrimidin-4-one2-{[2-(dipropylamino)ethyl]thio}-6-hydroxy-5-propylpyrimidin-4(3H)-one2-{[2-(Dipropylamino)ethyl]sulfanyl}-6-hydroxy-5-propylpyrimidin-4(3H)-one
Show more names
2-{[2-(dipropylamino)ethyl]sulfanyl}-6-hydroxy-5-propylpyrimidin-4(3H)-one--hydrogen chloride (1/1)
Database identifiers
- CAS
423749-17-1- PubChem CID
- 649935
- DTXSID
DTXSID901155077- ChEMBL
CHEMBL1620346
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 402
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Compound notes
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