5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]-2-methylpyrimidin-4-one

C20H20BrF2N5O2 — CID 21089792

IUPAC5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]-2-methylpyrimidin-4-one
SMILESCc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cnc(CN(C)C)cn1
InChIInChI=1S/C20H20BrF2N5O2/c1-12-26-19(30-11-13-4-5-14(22)6-17(13)23)18(21)20(29)28(12)10-16-8-24-15(7-25-16)9-27(2)3/h4-8H,9-11H2,1-3H3
InChIKeyQMIXDTNGGFVGNT-UHFFFAOYSA-N
MW480.31 g/mol
LogP3.07
Rot. Bonds7

About 5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]-2-methylpyrimidin-4-one

5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]-2-methylpyrimidin-4-one (PubChem CID 21089792) has the molecular formula C20H20BrF2N5O2 and a molecular weight of 480.31 g/mol. Its IUPAC name is 5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]-2-methylpyrimidin-4-one
PubChem CID21089792
Molecular FormulaC20H20BrF2N5O2
Molecular Weight480.31 g/mol
Exact Mass479.08
IUPAC Name5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]-2-methylpyrimidin-4-one
SMILESCc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cnc(CN(C)C)cn1
InChIInChI=1S/C20H20BrF2N5O2/c1-12-26-19(30-11-13-4-5-14(22)6-17(13)23)18(21)20(29)28(12)10-16-8-24-15(7-25-16)9-27(2)3/h4-8H,9-11H2,1-3H3
InChIKeyQMIXDTNGGFVGNT-UHFFFAOYSA-N
XLogP3.07
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]-2-methylpyrimidin-4-one?
The IUPAC name of 5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]-2-methylpyrimidin-4-one (CID 21089792) is 5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]-2-methylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]-2-methylpyrimidin-4-one?
The canonical SMILES for 5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]-2-methylpyrimidin-4-one is Cc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cnc(CN(C)C)cn1.
What is the InChIKey of 5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]-2-methylpyrimidin-4-one?
The InChIKey is QMIXDTNGGFVGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrF2N5O2/c1-12-26-19(30-11-13-4-5-14(22)6-17(13)23)18(21)20(29)28(12)10-16-8-24-15(7-25-16)9-27(2)3/h4-8H,9-11H2,1-3H3.
What are the key properties of 5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]-2-methylpyrimidin-4-one?
5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]-2-methylpyrimidin-4-one has a molecular weight of 480.31 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]-2-methylpyrimidin-4-one is sourced from PubChem (CID 21089792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).