5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-one

C18H15BrF2N4O2 — CID 21089688

IUPAC5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-one
SMILESCc1cnc(Cn2c(C)nc(OCc3ccc(F)cc3F)c(Br)c2=O)cn1
InChIInChI=1S/C18H15BrF2N4O2/c1-10-6-23-14(7-22-10)8-25-11(2)24-17(16(19)18(25)26)27-9-12-3-4-13(20)5-15(12)21/h3-7H,8-9H2,1-2H3
InChIKeyBIKHMKIYCSHNEE-UHFFFAOYSA-N
MW437.24 g/mol
LogP3.32
Rot. Bonds5

About 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-one

5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-one (PubChem CID 21089688) has the molecular formula C18H15BrF2N4O2 and a molecular weight of 437.24 g/mol. Its IUPAC name is 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-one
PubChem CID21089688
Molecular FormulaC18H15BrF2N4O2
Molecular Weight437.24 g/mol
Exact Mass436.03
IUPAC Name5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-one
SMILESCc1cnc(Cn2c(C)nc(OCc3ccc(F)cc3F)c(Br)c2=O)cn1
InChIInChI=1S/C18H15BrF2N4O2/c1-10-6-23-14(7-22-10)8-25-11(2)24-17(16(19)18(25)26)27-9-12-3-4-13(20)5-15(12)21/h3-7H,8-9H2,1-2H3
InChIKeyBIKHMKIYCSHNEE-UHFFFAOYSA-N
XLogP3.32
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.24
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-1-(5-methylpyrazin-2-yl)pyridin-2(1H)-one
CID 46882407
3-bromo-4-(2,4-difluorobenzyloxy)-1-(5-(hydroxymethyl)pyrazin-2-yl)-6-methylpyridin-2(1H)-one
CID 46882408
1-[(5-Aminopyrazin-2-yl)methyl]-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 21035296
3-Bromo-4-[(2,4-difluorophenyl)methoxy]-1-[[5-[[2-hydroxyethyl(methyl)amino]methyl]pyrazin-2-yl]methyl]-6-methylpyridin-2-one
CID 21035319
3-Bromo-4-[(2,4-difluorophenyl)methoxy]-1-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]-6-methylpyridin-2-one
CID 21035321
Methyl (5-{[3-Bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl]methyl}pyrazin-2-yl)methyl(methyl)carbamate
CID 21035374
3-[2-(Aminomethyl)-4-methylpyrimidin-5-yl]-5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one
CID 21089094
3-[(5-Aminopyrazin-2-yl)methyl]-5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one;2,2,2-trifluoroacetic acid
CID 21089226
3-[(5-Aminopyrazin-2-yl)methyl]-5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one
CID 21089227
4-[[5-Bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]pyrimidine-2-carbonitrile
CID 21089426
5-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]-N-(2,3-dihydroxypropyl)pyrazine-2-carboxamide
CID 21089463
5-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]-N-(2-hydroxy-2-methylpropyl)pyrazine-2-carboxamide
CID 21089464

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-one (CID 21089688) is 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-one is Cc1cnc(Cn2c(C)nc(OCc3ccc(F)cc3F)c(Br)c2=O)cn1.
What is the InChIKey of 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-one?
The InChIKey is BIKHMKIYCSHNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrF2N4O2/c1-10-6-23-14(7-22-10)8-25-11(2)24-17(16(19)18(25)26)27-9-12-3-4-13(20)5-15(12)21/h3-7H,8-9H2,1-2H3.
What are the key properties of 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-one?
5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-one has a molecular weight of 437.24 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 21089688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).