5-bromo-3-[(3-fluorophenyl)methyl]-6-(2-phenylethyl)pyrimidin-4-one

C19H16BrFN2O — CID 21089582

IUPAC5-bromo-3-[(3-fluorophenyl)methyl]-6-(2-phenylethyl)pyrimidin-4-one
SMILESO=c1c(Br)c(CCc2ccccc2)ncn1Cc1cccc(F)c1
InChIInChI=1S/C19H16BrFN2O/c20-18-17(10-9-14-5-2-1-3-6-14)22-13-23(19(18)24)12-15-7-4-8-16(21)11-15/h1-8,11,13H,9-10,12H2
InChIKeyWIPJGYVRSCAHCO-UHFFFAOYSA-N
MW387.25 g/mol
LogP3.98
Rot. Bonds5

About 5-bromo-3-[(3-fluorophenyl)methyl]-6-(2-phenylethyl)pyrimidin-4-one

5-bromo-3-[(3-fluorophenyl)methyl]-6-(2-phenylethyl)pyrimidin-4-one (PubChem CID 21089582) has the molecular formula C19H16BrFN2O and a molecular weight of 387.25 g/mol. Its IUPAC name is 5-bromo-3-[(3-fluorophenyl)methyl]-6-(2-phenylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[(3-fluorophenyl)methyl]-6-(2-phenylethyl)pyrimidin-4-one
PubChem CID21089582
Molecular FormulaC19H16BrFN2O
Molecular Weight387.25 g/mol
Exact Mass386.04
IUPAC Name5-bromo-3-[(3-fluorophenyl)methyl]-6-(2-phenylethyl)pyrimidin-4-one
SMILESO=c1c(Br)c(CCc2ccccc2)ncn1Cc1cccc(F)c1
InChIInChI=1S/C19H16BrFN2O/c20-18-17(10-9-14-5-2-1-3-6-14)22-13-23(19(18)24)12-15-7-4-8-16(21)11-15/h1-8,11,13H,9-10,12H2
InChIKeyWIPJGYVRSCAHCO-UHFFFAOYSA-N
XLogP3.98
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.25
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(3-fluorophenyl)methyl]-6-(2-phenylethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[(3-fluorophenyl)methyl]-6-(2-phenylethyl)pyrimidin-4-one (CID 21089582) is 5-bromo-3-[(3-fluorophenyl)methyl]-6-(2-phenylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[(3-fluorophenyl)methyl]-6-(2-phenylethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[(3-fluorophenyl)methyl]-6-(2-phenylethyl)pyrimidin-4-one is O=c1c(Br)c(CCc2ccccc2)ncn1Cc1cccc(F)c1.
What is the InChIKey of 5-bromo-3-[(3-fluorophenyl)methyl]-6-(2-phenylethyl)pyrimidin-4-one?
The InChIKey is WIPJGYVRSCAHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrFN2O/c20-18-17(10-9-14-5-2-1-3-6-14)22-13-23(19(18)24)12-15-7-4-8-16(21)11-15/h1-8,11,13H,9-10,12H2.
What are the key properties of 5-bromo-3-[(3-fluorophenyl)methyl]-6-(2-phenylethyl)pyrimidin-4-one?
5-bromo-3-[(3-fluorophenyl)methyl]-6-(2-phenylethyl)pyrimidin-4-one has a molecular weight of 387.25 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(3-fluorophenyl)methyl]-6-(2-phenylethyl)pyrimidin-4-one is sourced from PubChem (CID 21089582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).