3-(4-fluorophenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one

C14H9FN2OS — CID 135045725

IUPAC3-(4-fluorophenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Sc2ccc(F)cc2)cnc2ccccn12
InChIInChI=1S/C14H9FN2OS/c15-10-4-6-11(7-5-10)19-12-9-16-13-3-1-2-8-17(13)14(12)18/h1-9H
InChIKeyQFCXKIPNJJGXJQ-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.98
Rot. Bonds2

About 3-(4-fluorophenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one

3-(4-fluorophenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 135045725) has the molecular formula C14H9FN2OS and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one
PubChem CID135045725
Molecular FormulaC14H9FN2OS
Molecular Weight272.30 g/mol
Exact Mass272.04
IUPAC Name3-(4-fluorophenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Sc2ccc(F)cc2)cnc2ccccn12
InChIInChI=1S/C14H9FN2OS/c15-10-4-6-11(7-5-10)19-12-9-16-13-3-1-2-8-17(13)14(12)18/h1-9H
InChIKeyQFCXKIPNJJGXJQ-UHFFFAOYSA-N
XLogP2.98
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(4-fluorophenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one (CID 135045725) is 3-(4-fluorophenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one is O=c1c(Sc2ccc(F)cc2)cnc2ccccn12.
What is the InChIKey of 3-(4-fluorophenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QFCXKIPNJJGXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2OS/c15-10-4-6-11(7-5-10)19-12-9-16-13-3-1-2-8-17(13)14(12)18/h1-9H.
What are the key properties of 3-(4-fluorophenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one?
3-(4-fluorophenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 272.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135045725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).