1-methyl-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-one

C13H11F3N2O — CID 154488054

IUPAC1-methyl-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-one
SMILESCc1ccc(-c2cc(C(F)(F)F)n(C)c(=O)n2)cc1
InChIInChI=1S/C13H11F3N2O/c1-8-3-5-9(6-4-8)10-7-11(13(14,15)16)18(2)12(19)17-10/h3-7H,1-2H3
InChIKeyUHAXUVHTNKWJTK-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.77
Rot. Bonds1

About 1-methyl-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-one

1-methyl-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-one (PubChem CID 154488054) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 1-methyl-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-methyl-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-one
PubChem CID154488054
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name1-methyl-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-one
SMILESCc1ccc(-c2cc(C(F)(F)F)n(C)c(=O)n2)cc1
InChIInChI=1S/C13H11F3N2O/c1-8-3-5-9(6-4-8)10-7-11(13(14,15)16)18(2)12(19)17-10/h3-7H,1-2H3
InChIKeyUHAXUVHTNKWJTK-UHFFFAOYSA-N
XLogP2.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-one?
The IUPAC name of 1-methyl-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-one (CID 154488054) is 1-methyl-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-one.
What is the SMILES notation for 1-methyl-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-one?
The canonical SMILES for 1-methyl-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-one is Cc1ccc(-c2cc(C(F)(F)F)n(C)c(=O)n2)cc1.
What is the InChIKey of 1-methyl-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-one?
The InChIKey is UHAXUVHTNKWJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-8-3-5-9(6-4-8)10-7-11(13(14,15)16)18(2)12(19)17-10/h3-7H,1-2H3.
What are the key properties of 1-methyl-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-one?
1-methyl-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-one has a molecular weight of 268.24 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-one is sourced from PubChem (CID 154488054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).