Pyrrolo(1,2-c)pyrimidine-4-carbonitrile, 1,2,3,5,6,7-hexahydro-2-(4-fluorophenyl)-3-imino-1-oxo-
Basic information
- CAS
120239-11-4- Standard SMILES
N#Cc1c2n(c(=O)n(-c3ccc(F)cc3)c1=N)CCC2- InChIKey
MEQATQVDIGXYRR-UHFFFAOYSA-N- Molecular formula
- C14H11FN4O
- Average molar mass
- 270.26 g/mol
- Monoisotopic mass
- 270.09168915
Names & identifiers
- Preferred name
- Pyrrolo(1,2-c)pyrimidine-4-carbonitrile, 1,2,3,5,6,7-hexahydro-2-(4-fluorophenyl)-3-imino-1-oxo-
- IUPAC
- 2-(4-fluorophenyl)-3-imino-1-oxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile
Names & synonyms
Pyrrolo(1,2-c)pyrimidine-4-carbonitrile, 1,2,3,5,6,7-hexahydro-2-(4-fluorophenyl)-3-imino-1-oxo-120239-11-4RefChem:378198DTXSID509232752-(4-Fluorophenyl)-3-imino-1-oxo-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-4-carbonitrile
Database identifiers
- CAS
120239-11-4- PubChem CID
- 3078166
- DTXSID
DTXSID50923275
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 71.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 539
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Compound notes
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