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

C15H10BrFN2OS — CID 21089607

IUPAC5-bromo-3-[(3-fluorophenyl)methyl]-6-thiophen-3-ylpyrimidin-4-one
SMILESO=c1c(Br)c(-c2ccsc2)ncn1Cc1cccc(F)c1
InChIInChI=1S/C15H10BrFN2OS/c16-13-14(11-4-5-21-8-11)18-9-19(15(13)20)7-10-2-1-3-12(17)6-10/h1-6,8-9H,7H2
InChIKeyFLJVLAZHKLVLOD-UHFFFAOYSA-N
MW365.23 g/mol
LogP3.92
Rot. Bonds3

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

5-bromo-3-[(3-fluorophenyl)methyl]-6-thiophen-3-ylpyrimidin-4-one (PubChem CID 21089607) has the molecular formula C15H10BrFN2OS and a molecular weight of 365.23 g/mol. Its IUPAC name is 5-bromo-3-[(3-fluorophenyl)methyl]-6-thiophen-3-ylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[(3-fluorophenyl)methyl]-6-thiophen-3-ylpyrimidin-4-one
PubChem CID21089607
Molecular FormulaC15H10BrFN2OS
Molecular Weight365.23 g/mol
Exact Mass363.97
IUPAC Name5-bromo-3-[(3-fluorophenyl)methyl]-6-thiophen-3-ylpyrimidin-4-one
SMILESO=c1c(Br)c(-c2ccsc2)ncn1Cc1cccc(F)c1
InChIInChI=1S/C15H10BrFN2OS/c16-13-14(11-4-5-21-8-11)18-9-19(15(13)20)7-10-2-1-3-12(17)6-10/h1-6,8-9H,7H2
InChIKeyFLJVLAZHKLVLOD-UHFFFAOYSA-N
XLogP3.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(3-fluorophenyl)methyl]-6-thiophen-3-ylpyrimidin-4-one?
The IUPAC name of 5-bromo-3-[(3-fluorophenyl)methyl]-6-thiophen-3-ylpyrimidin-4-one (CID 21089607) is 5-bromo-3-[(3-fluorophenyl)methyl]-6-thiophen-3-ylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[(3-fluorophenyl)methyl]-6-thiophen-3-ylpyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[(3-fluorophenyl)methyl]-6-thiophen-3-ylpyrimidin-4-one is O=c1c(Br)c(-c2ccsc2)ncn1Cc1cccc(F)c1.
What is the InChIKey of 5-bromo-3-[(3-fluorophenyl)methyl]-6-thiophen-3-ylpyrimidin-4-one?
The InChIKey is FLJVLAZHKLVLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2OS/c16-13-14(11-4-5-21-8-11)18-9-19(15(13)20)7-10-2-1-3-12(17)6-10/h1-6,8-9H,7H2.
What are the key properties of 5-bromo-3-[(3-fluorophenyl)methyl]-6-thiophen-3-ylpyrimidin-4-one?
5-bromo-3-[(3-fluorophenyl)methyl]-6-thiophen-3-ylpyrimidin-4-one has a molecular weight of 365.23 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(3-fluorophenyl)methyl]-6-thiophen-3-ylpyrimidin-4-one is sourced from PubChem (CID 21089607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).