1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2-methylidenepyrimidin-4-one

C14H12F4N2O — CID 156647168

IUPAC1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2-methylidenepyrimidin-4-one
SMILESC=C1NC(=O)C=C(C)N1Cc1c(F)cccc1C(F)(F)F
InChIInChI=1S/C14H12F4N2O/c1-8-6-13(21)19-9(2)20(8)7-10-11(14(16,17)18)4-3-5-12(10)15/h3-6H,2,7H2,1H3,(H,19,21)
InChIKeyVPLOMYVVBHXAJP-UHFFFAOYSA-N
MW300.26 g/mol
LogP3.15
Rot. Bonds2

About 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2-methylidenepyrimidin-4-one

1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2-methylidenepyrimidin-4-one (PubChem CID 156647168) has the molecular formula C14H12F4N2O and a molecular weight of 300.26 g/mol. Its IUPAC name is 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2-methylidenepyrimidin-4-one.

Molecular Properties

Compound Name1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2-methylidenepyrimidin-4-one
PubChem CID156647168
Molecular FormulaC14H12F4N2O
Molecular Weight300.26 g/mol
Exact Mass300.09
IUPAC Name1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2-methylidenepyrimidin-4-one
SMILESC=C1NC(=O)C=C(C)N1Cc1c(F)cccc1C(F)(F)F
InChIInChI=1S/C14H12F4N2O/c1-8-6-13(21)19-9(2)20(8)7-10-11(14(16,17)18)4-3-5-12(10)15/h3-6H,2,7H2,1H3,(H,19,21)
InChIKeyVPLOMYVVBHXAJP-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2-methylidenepyrimidin-4-one?
The IUPAC name of 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2-methylidenepyrimidin-4-one (CID 156647168) is 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2-methylidenepyrimidin-4-one.
What is the SMILES notation for 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2-methylidenepyrimidin-4-one?
The canonical SMILES for 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2-methylidenepyrimidin-4-one is C=C1NC(=O)C=C(C)N1Cc1c(F)cccc1C(F)(F)F.
What is the InChIKey of 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2-methylidenepyrimidin-4-one?
The InChIKey is VPLOMYVVBHXAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O/c1-8-6-13(21)19-9(2)20(8)7-10-11(14(16,17)18)4-3-5-12(10)15/h3-6H,2,7H2,1H3,(H,19,21).
What are the key properties of 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2-methylidenepyrimidin-4-one?
1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2-methylidenepyrimidin-4-one has a molecular weight of 300.26 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2-methylidenepyrimidin-4-one is sourced from PubChem (CID 156647168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).