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

C17H11BrF2N2O — CID 21089595

IUPAC5-bromo-6-(4-fluorophenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one
SMILESO=c1c(Br)c(-c2ccc(F)cc2)ncn1Cc1cccc(F)c1
InChIInChI=1S/C17H11BrF2N2O/c18-15-16(12-4-6-13(19)7-5-12)21-10-22(17(15)23)9-11-2-1-3-14(20)8-11/h1-8,10H,9H2
InChIKeyLZJVCQXWMLVOEH-UHFFFAOYSA-N
MW377.19 g/mol
LogP4.00
Rot. Bonds3

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

5-bromo-6-(4-fluorophenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one (PubChem CID 21089595) has the molecular formula C17H11BrF2N2O and a molecular weight of 377.19 g/mol. Its IUPAC name is 5-bromo-6-(4-fluorophenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-(4-fluorophenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one
PubChem CID21089595
Molecular FormulaC17H11BrF2N2O
Molecular Weight377.19 g/mol
Exact Mass376.00
IUPAC Name5-bromo-6-(4-fluorophenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one
SMILESO=c1c(Br)c(-c2ccc(F)cc2)ncn1Cc1cccc(F)c1
InChIInChI=1S/C17H11BrF2N2O/c18-15-16(12-4-6-13(19)7-5-12)21-10-22(17(15)23)9-11-2-1-3-14(20)8-11/h1-8,10H,9H2
InChIKeyLZJVCQXWMLVOEH-UHFFFAOYSA-N
XLogP4.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.19
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(4-fluorophenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-6-(4-fluorophenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one (CID 21089595) is 5-bromo-6-(4-fluorophenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-(4-fluorophenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-(4-fluorophenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one is O=c1c(Br)c(-c2ccc(F)cc2)ncn1Cc1cccc(F)c1.
What is the InChIKey of 5-bromo-6-(4-fluorophenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one?
The InChIKey is LZJVCQXWMLVOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrF2N2O/c18-15-16(12-4-6-13(19)7-5-12)21-10-22(17(15)23)9-11-2-1-3-14(20)8-11/h1-8,10H,9H2.
What are the key properties of 5-bromo-6-(4-fluorophenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one?
5-bromo-6-(4-fluorophenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one has a molecular weight of 377.19 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(4-fluorophenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 21089595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).