7-pyridin-4-yl-1-(4,4,4-trifluorobut-2-enyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one

C15H13F3N4O — CID 68873565

IUPAC7-pyridin-4-yl-1-(4,4,4-trifluorobut-2-enyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
SMILESO=c1cc(-c2ccncc2)nc2n1CCN2CC=CC(F)(F)F
InChIInChI=1S/C15H13F3N4O/c16-15(17,18)4-1-7-21-8-9-22-13(23)10-12(20-14(21)22)11-2-5-19-6-3-11/h1-6,10H,7-9H2
InChIKeyFUWGDLPUEYXIEN-UHFFFAOYSA-N
MW322.29 g/mol
LogP2.24
Rot. Bonds3

About 7-pyridin-4-yl-1-(4,4,4-trifluorobut-2-enyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one

7-pyridin-4-yl-1-(4,4,4-trifluorobut-2-enyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one (PubChem CID 68873565) has the molecular formula C15H13F3N4O and a molecular weight of 322.29 g/mol. Its IUPAC name is 7-pyridin-4-yl-1-(4,4,4-trifluorobut-2-enyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-pyridin-4-yl-1-(4,4,4-trifluorobut-2-enyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
PubChem CID68873565
Molecular FormulaC15H13F3N4O
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC Name7-pyridin-4-yl-1-(4,4,4-trifluorobut-2-enyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
SMILESO=c1cc(-c2ccncc2)nc2n1CCN2CC=CC(F)(F)F
InChIInChI=1S/C15H13F3N4O/c16-15(17,18)4-1-7-21-8-9-22-13(23)10-12(20-14(21)22)11-2-5-19-6-3-11/h1-6,10H,7-9H2
InChIKeyFUWGDLPUEYXIEN-UHFFFAOYSA-N
XLogP2.24
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-pyridin-4-yl-1-(4,4,4-trifluorobut-2-enyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-pyridin-4-yl-1-(4,4,4-trifluorobut-2-enyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one (CID 68873565) is 7-pyridin-4-yl-1-(4,4,4-trifluorobut-2-enyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-pyridin-4-yl-1-(4,4,4-trifluorobut-2-enyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-pyridin-4-yl-1-(4,4,4-trifluorobut-2-enyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one is O=c1cc(-c2ccncc2)nc2n1CCN2CC=CC(F)(F)F.
What is the InChIKey of 7-pyridin-4-yl-1-(4,4,4-trifluorobut-2-enyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is FUWGDLPUEYXIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O/c16-15(17,18)4-1-7-21-8-9-22-13(23)10-12(20-14(21)22)11-2-5-19-6-3-11/h1-6,10H,7-9H2.
What are the key properties of 7-pyridin-4-yl-1-(4,4,4-trifluorobut-2-enyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
7-pyridin-4-yl-1-(4,4,4-trifluorobut-2-enyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 322.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-4-yl-1-(4,4,4-trifluorobut-2-enyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 68873565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).