1-[2-(4-fluorophenyl)ethyl]-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-5-one

C18H14FN5O — CID 10125854

IUPAC1-[2-(4-fluorophenyl)ethyl]-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-5-one
SMILESO=c1cc(-c2ccncn2)nc2n(CCc3ccc(F)cc3)ccn12
InChIInChI=1S/C18H14FN5O/c19-14-3-1-13(2-4-14)6-8-23-9-10-24-17(25)11-16(22-18(23)24)15-5-7-20-12-21-15/h1-5,7,9-12H,6,8H2
InChIKeyWJSAKJMTNXZRNE-UHFFFAOYSA-N
MW335.34 g/mol
LogP2.33
Rot. Bonds4

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

1-[2-(4-fluorophenyl)ethyl]-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 10125854) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-5-one
PubChem CID10125854
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-5-one
SMILESO=c1cc(-c2ccncn2)nc2n(CCc3ccc(F)cc3)ccn12
InChIInChI=1S/C18H14FN5O/c19-14-3-1-13(2-4-14)6-8-23-9-10-24-17(25)11-16(22-18(23)24)15-5-7-20-12-21-15/h1-5,7,9-12H,6,8H2
InChIKeyWJSAKJMTNXZRNE-UHFFFAOYSA-N
XLogP2.33
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(5-oxo-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-1-yl)ethyl]benzonitrile
CID 10149993
1-[2-(4-fluorophenyl)-2-oxoethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 22048099
7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]imidazo[1,2-a]pyrimidin-5-one
CID 10222503
11-[2-(3-fluorophenyl)ethyl]-2-pyrimidin-4-yl-6H-pyrimido[2,1-b]quinazolin-4-one;11-[2-(4-fluorophenyl)ethyl]-2-pyrimidin-4-yl-6H-pyrimido[2,1-b]quinazolin-4-one
CID 67080011
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 22048092
4-[2-(7,7-dimethyl-4-oxo-2-pyrimidin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-9-yl)ethyl]benzonitrile
CID 10271484
1-(2-phenylsulfanylethyl)-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 10291420
2-[(3S)-3-(4-fluoroanilino)pyrrolidin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25004255
9-[2-(4-fluorophenyl)-2-oxoethyl]-7,7-dimethyl-2-pyrimidin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
CID 10200578
10-[2-(4-methoxyphenyl)ethyl]-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
CID 44601135
1-[2-(4-fluorophenyl)-2-oxoethyl]-2,2-dimethyl-8-pyrimidin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one
CID 68694588
2-pyrimidin-4-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 141206790

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-5-one (CID 10125854) is 1-[2-(4-fluorophenyl)ethyl]-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-5-one is O=c1cc(-c2ccncn2)nc2n(CCc3ccc(F)cc3)ccn12.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is WJSAKJMTNXZRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c19-14-3-1-13(2-4-14)6-8-23-9-10-24-17(25)11-16(22-18(23)24)15-5-7-20-12-21-15/h1-5,7,9-12H,6,8H2.
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-5-one?
1-[2-(4-fluorophenyl)ethyl]-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 335.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 10125854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).