5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylpyrimidin-4-one

C19H14BrF3N2O3 — CID 21089738

IUPAC5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylpyrimidin-4-one
SMILESCc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cc(CO)ccc1F
InChIInChI=1S/C19H14BrF3N2O3/c1-10-24-18(28-9-12-3-4-13(21)7-15(12)23)17(20)19(27)25(10)16-6-11(8-26)2-5-14(16)22/h2-7,26H,8-9H2,1H3
InChIKeyQTPMVLOBGHPXRU-UHFFFAOYSA-N
MW455.23 g/mol
LogP3.79
Rot. Bonds5

About 5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylpyrimidin-4-one

5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylpyrimidin-4-one (PubChem CID 21089738) has the molecular formula C19H14BrF3N2O3 and a molecular weight of 455.23 g/mol. Its IUPAC name is 5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylpyrimidin-4-one
PubChem CID21089738
Molecular FormulaC19H14BrF3N2O3
Molecular Weight455.23 g/mol
Exact Mass454.01
IUPAC Name5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylpyrimidin-4-one
SMILESCc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cc(CO)ccc1F
InChIInChI=1S/C19H14BrF3N2O3/c1-10-24-18(28-9-12-3-4-13(21)7-15(12)23)17(20)19(27)25(10)16-6-11(8-26)2-5-14(16)22/h2-7,26H,8-9H2,1H3
InChIKeyQTPMVLOBGHPXRU-UHFFFAOYSA-N
XLogP3.79
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.23
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylpyrimidin-4-one?
The IUPAC name of 5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylpyrimidin-4-one (CID 21089738) is 5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylpyrimidin-4-one?
The canonical SMILES for 5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylpyrimidin-4-one is Cc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cc(CO)ccc1F.
What is the InChIKey of 5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylpyrimidin-4-one?
The InChIKey is QTPMVLOBGHPXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrF3N2O3/c1-10-24-18(28-9-12-3-4-13(21)7-15(12)23)17(20)19(27)25(10)16-6-11(8-26)2-5-14(16)22/h2-7,26H,8-9H2,1H3.
What are the key properties of 5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylpyrimidin-4-one?
5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylpyrimidin-4-one has a molecular weight of 455.23 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylpyrimidin-4-one is sourced from PubChem (CID 21089738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).