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

C18H20BrFN2O2 — CID 21089619

IUPAC5-bromo-3-(cyclohexylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one
SMILESO=c1c(Br)c(OCc2ccc(F)cc2)ncn1CC1CCCCC1
InChIInChI=1S/C18H20BrFN2O2/c19-16-17(24-11-14-6-8-15(20)9-7-14)21-12-22(18(16)23)10-13-4-2-1-3-5-13/h6-9,12-13H,1-5,10-11H2
InChIKeyKJVYNJQMZUTQBJ-UHFFFAOYSA-N
MW395.27 g/mol
LogP4.30
Rot. Bonds5

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

5-bromo-3-(cyclohexylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one (PubChem CID 21089619) has the molecular formula C18H20BrFN2O2 and a molecular weight of 395.27 g/mol. Its IUPAC name is 5-bromo-3-(cyclohexylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(cyclohexylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one
PubChem CID21089619
Molecular FormulaC18H20BrFN2O2
Molecular Weight395.27 g/mol
Exact Mass394.07
IUPAC Name5-bromo-3-(cyclohexylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one
SMILESO=c1c(Br)c(OCc2ccc(F)cc2)ncn1CC1CCCCC1
InChIInChI=1S/C18H20BrFN2O2/c19-16-17(24-11-14-6-8-15(20)9-7-14)21-12-22(18(16)23)10-13-4-2-1-3-5-13/h6-9,12-13H,1-5,10-11H2
InChIKeyKJVYNJQMZUTQBJ-UHFFFAOYSA-N
XLogP4.30
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.27
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Bromo-4-[(4-fluorophenyl)methoxy]-1-(3-phenylpropyl)pyridin-2-one
CID 10194540
3-Bromo-1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one
CID 11246390
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-2-[(4-fluorophenyl)methylamino]-3-propan-2-ylpyrimidin-4-one
CID 11496706
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one
CID 11516001
2-[(1-Acetylpiperidin-4-yl)amino]-5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one
CID 11526183
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-3-(1-methylethyl)-2-phenyl-4(3H)-pyrimidinone
CID 11532159
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-2-(3,3-dimethylbutylamino)-3-propan-2-ylpyrimidin-4-one
CID 11705223
5-bromo-6-(4'-trifluoromethylbenzyloxy)-3-methyl-4(3H)-pyrimidinone
CID 14276128
2-[2-[[5-Bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]methyl]phenyl]acetamide
CID 21089063
2-[3-[[5-Bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]methyl]phenyl]acetamide
CID 21089065
2-[[5-Bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]methyl]benzonitrile
CID 21089089
(E)-4-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]-N-methylbut-2-enamide
CID 21089101

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(cyclohexylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-(cyclohexylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one (CID 21089619) is 5-bromo-3-(cyclohexylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(cyclohexylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(cyclohexylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one is O=c1c(Br)c(OCc2ccc(F)cc2)ncn1CC1CCCCC1.
What is the InChIKey of 5-bromo-3-(cyclohexylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one?
The InChIKey is KJVYNJQMZUTQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN2O2/c19-16-17(24-11-14-6-8-15(20)9-7-14)21-12-22(18(16)23)10-13-4-2-1-3-5-13/h6-9,12-13H,1-5,10-11H2.
What are the key properties of 5-bromo-3-(cyclohexylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one?
5-bromo-3-(cyclohexylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one has a molecular weight of 395.27 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(cyclohexylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one is sourced from PubChem (CID 21089619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).