1-(2-phenylsulfanylethyl)-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one

C19H16N4OS — CID 10291420

IUPAC1-(2-phenylsulfanylethyl)-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one
SMILESO=c1cc(-c2ccncc2)nc2n(CCSc3ccccc3)ccn12
InChIInChI=1S/C19H16N4OS/c24-18-14-17(15-6-8-20-9-7-15)21-19-22(10-11-23(18)19)12-13-25-16-4-2-1-3-5-16/h1-11,14H,12-13H2
InChIKeyNCMDGZAALTUEIY-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.35
Rot. Bonds5

About 1-(2-phenylsulfanylethyl)-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one

1-(2-phenylsulfanylethyl)-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 10291420) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-(2-phenylsulfanylethyl)-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name1-(2-phenylsulfanylethyl)-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one
PubChem CID10291420
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name1-(2-phenylsulfanylethyl)-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one
SMILESO=c1cc(-c2ccncc2)nc2n(CCSc3ccccc3)ccn12
InChIInChI=1S/C19H16N4OS/c24-18-14-17(15-6-8-20-9-7-15)21-19-22(10-11-23(18)19)12-13-25-16-4-2-1-3-5-16/h1-11,14H,12-13H2
InChIKeyNCMDGZAALTUEIY-UHFFFAOYSA-N
XLogP3.35
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-2-(2-phenylsulfanylethylamino)-6-pyridin-4-ylpyrimidin-4-one
CID 22595651
7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]imidazo[1,2-a]pyrimidin-5-one
CID 10222503
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 22048092
1-[2-(4-fluorophenyl)-2-oxoethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 22048099
3-methyl-6-phenyl-2-phenylsulfanylpyrimidin-4-one
CID 162675252
9-(2-ethylanilino)-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 66839844
9-[2-(benzenesulfinyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 10156625
3-methyl-6-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-4-one
CID 7748818
6-chloro-2-methyl-3-(2-phenylsulfanylethyl)pyrimidin-4-one
CID 114581831
1-[2-[3-(aminomethyl)phenyl]sulfanylethyl]pyridin-2-one
CID 82906977
3-methyl-2-(3-phenylmethoxypyrrolidin-1-yl)-6-pyridin-4-ylpyrimidin-4-one
CID 25002829
1-(2-phenylsulfanylethyl)azepane-2,7-dione
CID 112731273

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylsulfanylethyl)-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 1-(2-phenylsulfanylethyl)-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one (CID 10291420) is 1-(2-phenylsulfanylethyl)-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 1-(2-phenylsulfanylethyl)-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 1-(2-phenylsulfanylethyl)-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one is O=c1cc(-c2ccncc2)nc2n(CCSc3ccccc3)ccn12.
What is the InChIKey of 1-(2-phenylsulfanylethyl)-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is NCMDGZAALTUEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c24-18-14-17(15-6-8-20-9-7-15)21-19-22(10-11-23(18)19)12-13-25-16-4-2-1-3-5-16/h1-11,14H,12-13H2.
What are the key properties of 1-(2-phenylsulfanylethyl)-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one?
1-(2-phenylsulfanylethyl)-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 348.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylsulfanylethyl)-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 10291420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).