5-fluoro-2-phenyl-4-(2-phenylethyl)-1H-pyrimidin-6-one

C18H15FN2O — CID 136673208

IUPAC5-fluoro-2-phenyl-4-(2-phenylethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccccc2)nc(CCc2ccccc2)c1F
InChIInChI=1S/C18H15FN2O/c19-16-15(12-11-13-7-3-1-4-8-13)20-17(21-18(16)22)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21,22)
InChIKeyVKUBOIJFJXZYBC-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.36
Rot. Bonds4

About 5-fluoro-2-phenyl-4-(2-phenylethyl)-1H-pyrimidin-6-one

5-fluoro-2-phenyl-4-(2-phenylethyl)-1H-pyrimidin-6-one (PubChem CID 136673208) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-fluoro-2-phenyl-4-(2-phenylethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-phenyl-4-(2-phenylethyl)-1H-pyrimidin-6-one
PubChem CID136673208
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name5-fluoro-2-phenyl-4-(2-phenylethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccccc2)nc(CCc2ccccc2)c1F
InChIInChI=1S/C18H15FN2O/c19-16-15(12-11-13-7-3-1-4-8-13)20-17(21-18(16)22)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21,22)
InChIKeyVKUBOIJFJXZYBC-UHFFFAOYSA-N
XLogP3.36
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 162321965
CID 162321965
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6-fluoro-2-phenyl-3H-quinazolin-4-one
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4-amino-5-(2-hydroxyethyl)-2-phenyl-1H-pyrimidin-6-one
CID 137277391
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CID 135869738
5-benzyl-2,4-diphenyl-1H-imidazole
CID 175414335
2-(3-aminophenyl)-7-(3-phenylpropyl)-1H-purin-6-one
CID 135708933
3-benzyl-5-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135818451
2-(3-aminophenyl)-7-(2-phenylethyl)-1H-purin-6-one
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benzene;2-phenylethylbenzene
CID 18982764
5-(3-aminophenyl)-6-(2-phenylethyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
CID 123446837

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-phenyl-4-(2-phenylethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-phenyl-4-(2-phenylethyl)-1H-pyrimidin-6-one (CID 136673208) is 5-fluoro-2-phenyl-4-(2-phenylethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-phenyl-4-(2-phenylethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-phenyl-4-(2-phenylethyl)-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccccc2)nc(CCc2ccccc2)c1F.
What is the InChIKey of 5-fluoro-2-phenyl-4-(2-phenylethyl)-1H-pyrimidin-6-one?
The InChIKey is VKUBOIJFJXZYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c19-16-15(12-11-13-7-3-1-4-8-13)20-17(21-18(16)22)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21,22).
What are the key properties of 5-fluoro-2-phenyl-4-(2-phenylethyl)-1H-pyrimidin-6-one?
5-fluoro-2-phenyl-4-(2-phenylethyl)-1H-pyrimidin-6-one has a molecular weight of 294.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-phenyl-4-(2-phenylethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136673208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).