3-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-one

C12H11FN2O — CID 95921531

IUPAC3-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(Cc2cccc(F)c2)cn1
InChIInChI=1S/C12H11FN2O/c1-9-5-12(16)15(8-14-9)7-10-3-2-4-11(13)6-10/h2-6,8H,7H2,1H3
InChIKeyAZHSIKJUKICXPZ-UHFFFAOYSA-N
MW218.23 g/mol
LogP1.74
Rot. Bonds2

About 3-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-one

3-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-one (PubChem CID 95921531) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-one
PubChem CID95921531
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name3-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(Cc2cccc(F)c2)cn1
InChIInChI=1S/C12H11FN2O/c1-9-5-12(16)15(8-14-9)7-10-3-2-4-11(13)6-10/h2-6,8H,7H2,1H3
InChIKeyAZHSIKJUKICXPZ-UHFFFAOYSA-N
XLogP1.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(aminomethyl)-4-fluorophenyl]methyl]-6-methylpyrimidin-4-one
CID 114012012
3-[[2-(aminomethyl)-5-fluorophenyl]methyl]-6-methylpyrimidin-4-one
CID 64764830
2-fluoro-5-[(4-methyl-6-oxopyrimidin-1-yl)methyl]benzoic acid
CID 114012243
3-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidin-4-one
CID 95921539
3-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]-6-methylpyrimidin-4-one
CID 79710695
9-[(3-fluorophenyl)methyl]-3H-purine-2,6-dione
CID 174428875
4-fluoro-2-[(4-methyl-6-oxopyrimidin-1-yl)methyl]benzoic acid
CID 114014668
5-bromo-3-[(3-fluorophenyl)methyl]-6-hydroxypyrimidin-4-one
CID 135737352
5-bromo-6-(4-fluorophenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one
CID 21089595
3-[[5-(aminomethyl)-2-fluorophenyl]methyl]-6-methylpyrimidin-4-one
CID 61227116
3-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one
CID 54970847
3-[(3-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 18195406

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-one (CID 95921531) is 3-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-one is Cc1cc(=O)n(Cc2cccc(F)c2)cn1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-one?
The InChIKey is AZHSIKJUKICXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-9-5-12(16)15(8-14-9)7-10-3-2-4-11(13)6-10/h2-6,8H,7H2,1H3.
What are the key properties of 3-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-one?
3-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-one has a molecular weight of 218.23 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 95921531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).