1-(6-Methyl-1-prop-2-enyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone
Basic information
- CAS
5947-64-8- Standard SMILES
C=CCn1c(C)c(C(C)=O)c(N2CCCC2)nc1=S- InChIKey
MSWGPJKILZCPJX-UHFFFAOYSA-N- Molecular formula
- C14H19N3OS
- Average molar mass
- 277.39 g/mol
- Monoisotopic mass
- 277.12488341
Names & identifiers
- Preferred name
- 1-(6-Methyl-1-prop-2-enyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone
- IUPAC
- 1-(6-methyl-1-prop-2-enyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone
Names & synonyms
5947-64-81-[1-allyl-6-methyl-4-(1-pyrrolidinyl)-2-thioxo-1,2-dihydro-5-pyrimidinyl]ethanoneMLS000109412CBMicro_048476CHEMBL1387861DTXSID80974876HMS2280O031-(6-methyl-1-prop-2-enyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone1-[1-Allyl-6-methyl-4-(pyrrolidin-1-yl)-2-thioxo-1,2-dihydropyrimidin-5-yl]ethanoneSMR000105355BIM-0048576.P001SR-01000224111
Show more names
SR-01000224111-11-[6-Methyl-1-(prop-2-en-1-yl)-4-(pyrrolidin-1-yl)-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one
Database identifiers
- CAS
5947-64-8- PubChem CID
- 873445
- DTXSID
DTXSID80974876- ChEMBL
CHEMBL1387861
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 487
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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