2-(4-Fluorophenyl)-4(3H)-pyrimidinone

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Basic information

CAS: 76128-79-5
Standard SMILES: O=c1ccnc(-c2ccc(F)cc2)[nH]1
InChIKey: SLVBPLUHJQMEAO-UHFFFAOYSA-N
Molecular formula: C10H7FN2O
Average molar mass: 190.17 g/mol
Monoisotopic mass: 190.05424101

Names & identifiers

Preferred name: 2-(4-Fluorophenyl)-4(3H)-pyrimidinone
IUPAC: 2-(4-fluorophenyl)-1H-pyrimidin-6-one

Names & synonyms

76128-79-52-(4-Fluorophenyl)pyrimidin-4(3H)-one4-Hydroxy-2-(4-fluorophenyl)pyrimidine2-(4-Fluorophenyl)-4(3H)-pyrimidinone2-(4-FLUOROPHENYL)-3,4-DIHYDROPYRIMIDIN-4-ONESCHEMBL28133332SLVBPLUHJQMEAO-UHFFFAOYSA-NDTXSID101345868AKOS0159420174-hydroxy-2-(p-fluorophenyl)pyrimidineCS-376092-(4-Fluorophenyl)-4(3H)-pyrimidinone #

Show more names

4-Oxo-2-(4-fluorophenyl)-3,4-dihydropyrimidineQ63399692

Database identifiers

CAS: 76128-79-5
PubChem CID: 605352
DTXSID: DTXSID101345868
Nikkaji: J47.169K

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 41.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 290

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Compound notes

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