3-[(3-fluorophenyl)methyl]-6-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-one

C19H14F4N2O2 — CID 21090105

IUPAC3-[(3-fluorophenyl)methyl]-6-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-one
SMILESO=c1c(C(F)(F)F)c(OCc2ccccc2)ncn1Cc1cccc(F)c1
InChIInChI=1S/C19H14F4N2O2/c20-15-8-4-7-14(9-15)10-25-12-24-17(16(18(25)26)19(21,22)23)27-11-13-5-2-1-3-6-13/h1-9,12H,10-11H2
InChIKeyQGRRWBWWERSFEM-UHFFFAOYSA-N
MW378.33 g/mol
LogP4.03
Rot. Bonds5

About 3-[(3-fluorophenyl)methyl]-6-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-one

3-[(3-fluorophenyl)methyl]-6-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-one (PubChem CID 21090105) has the molecular formula C19H14F4N2O2 and a molecular weight of 378.33 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-6-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-6-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-one
PubChem CID21090105
Molecular FormulaC19H14F4N2O2
Molecular Weight378.33 g/mol
Exact Mass378.10
IUPAC Name3-[(3-fluorophenyl)methyl]-6-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-one
SMILESO=c1c(C(F)(F)F)c(OCc2ccccc2)ncn1Cc1cccc(F)c1
InChIInChI=1S/C19H14F4N2O2/c20-15-8-4-7-14(9-15)10-25-12-24-17(16(18(25)26)19(21,22)23)27-11-13-5-2-1-3-6-13/h1-9,12H,10-11H2
InChIKeyQGRRWBWWERSFEM-UHFFFAOYSA-N
XLogP4.03
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzyloxy)-1-(3-fluorobenzyl)-3-(trifluoromethyl)pyridin-2(1H)-one
CID 22050442
(4-fluorophenyl)methyl 3-benzyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 10453178
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-3-(1-methylethyl)-2-phenyl-4(3H)-pyrimidinone
CID 11532159
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
3-[[2-(Aminomethyl)phenyl]methyl]-5-bromo-6-[(2,4-difluorophenyl)methoxy]pyrimidin-4-one
CID 21089152
3-[[3-(2-Aminoethyl)phenyl]methyl]-5-bromo-6-[(2,4-difluorophenyl)methoxy]pyrimidin-4-one
CID 21089157
3-[[3-(2-Aminoethyl)phenyl]methyl]-5-bromo-6-[(2,4-difluorophenyl)methoxy]pyrimidin-4-one;2,2,2-trifluoroacetic acid
CID 21089158
3-[[3-(Aminomethyl)-2-fluorophenyl]methyl]-5-bromo-6-[(2,4-difluorophenyl)methoxy]pyrimidin-4-one
CID 21089176
3-[[3-(Aminomethyl)phenyl]methyl]-5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one
CID 21089177
3-(2-Amino-1-phenylethyl)-5-bromo-6-[(2,4-difluorophenyl)methoxy]pyrimidin-4-one
CID 21089178

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-6-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-6-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-one (CID 21090105) is 3-[(3-fluorophenyl)methyl]-6-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-6-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-6-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-one is O=c1c(C(F)(F)F)c(OCc2ccccc2)ncn1Cc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-6-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is QGRRWBWWERSFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N2O2/c20-15-8-4-7-14(9-15)10-25-12-24-17(16(18(25)26)19(21,22)23)27-11-13-5-2-1-3-6-13/h1-9,12H,10-11H2.
What are the key properties of 3-[(3-fluorophenyl)methyl]-6-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-one?
3-[(3-fluorophenyl)methyl]-6-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 378.33 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-6-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 21090105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).