3-benzyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one

C24H19FN2O2 — CID 68837803

IUPAC3-benzyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one
SMILESO=c1c(-c2ccc(OCc3ccccc3)c(F)c2)cncn1Cc1ccccc1
InChIInChI=1S/C24H19FN2O2/c25-22-13-20(11-12-23(22)29-16-19-9-5-2-6-10-19)21-14-26-17-27(24(21)28)15-18-7-3-1-4-8-18/h1-14,17H,15-16H2
InChIKeyQZMWWNVTHNNVJA-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.68
Rot. Bonds6

About 3-benzyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one

3-benzyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one (PubChem CID 68837803) has the molecular formula C24H19FN2O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 3-benzyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-benzyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one
PubChem CID68837803
Molecular FormulaC24H19FN2O2
Molecular Weight386.43 g/mol
Exact Mass386.14
IUPAC Name3-benzyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one
SMILESO=c1c(-c2ccc(OCc3ccccc3)c(F)c2)cncn1Cc1ccccc1
InChIInChI=1S/C24H19FN2O2/c25-22-13-20(11-12-23(22)29-16-19-9-5-2-6-10-19)21-14-26-17-27(24(21)28)15-18-7-3-1-4-8-18/h1-14,17H,15-16H2
InChIKeyQZMWWNVTHNNVJA-UHFFFAOYSA-N
XLogP4.68
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Methoxyphenyl)-2-phenylpyrido[1,2-a]pyrimidin-4-one
CID 76324729
N-benzyl-N-methyl-2-(4-phenylmethoxyphenyl)acetamide
CID 10712553
6-(4-ethoxyphenyl)-3-(3-fluorobenzyl)pyrimidin-4(3H)-one
CID 30463195
2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methyl-N-(2-phenylethyl)acetamide
CID 44348610
methyl (2E)-2-{4-[(2-fluorobenzyl)oxy]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 5296557
US12473289, Example 1-81
CID 156409255
US12473289, Example 1-80
CID 156409379
6-(4-ethoxyphenyl)-3-(2-oxo-2-phenylethyl)pyrimidin-4(3H)-one
CID 30463209
1-Benzyl-3-(4-methoxyphenyl)-4-phenylmethoxypyridin-2-one
CID 71469500
3-Benzyl-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]imidazole-2,4-dione
CID 145923831
1-[(4-Fluorophenyl)carbonyl]-4-(4-{[3-(1-piperidinyl)propyl]oxy}phenyl)-1,2,3,6-tetrahydropyridine
CID 11293126
(4-fluorophenyl)-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 11487028

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one?
The IUPAC name of 3-benzyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one (CID 68837803) is 3-benzyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one.
What is the SMILES notation for 3-benzyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one?
The canonical SMILES for 3-benzyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one is O=c1c(-c2ccc(OCc3ccccc3)c(F)c2)cncn1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one?
The InChIKey is QZMWWNVTHNNVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2/c25-22-13-20(11-12-23(22)29-16-19-9-5-2-6-10-19)21-14-26-17-27(24(21)28)15-18-7-3-1-4-8-18/h1-14,17H,15-16H2.
What are the key properties of 3-benzyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one?
3-benzyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one has a molecular weight of 386.43 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one is sourced from PubChem (CID 68837803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).