6-methyl-4-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrimidin-2-one

C13H11F3N2O — CID 138980158

IUPAC6-methyl-4-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESCc1ccc(-c2nc(=O)[nH]c(C)c2C(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2O/c1-7-3-5-9(6-4-7)11-10(13(14,15)16)8(2)17-12(19)18-11/h3-6H,1-2H3,(H,17,18,19)
InChIKeyQIXLALXNCKUTQT-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.07
Rot. Bonds1

About 6-methyl-4-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrimidin-2-one

6-methyl-4-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 138980158) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 6-methyl-4-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-methyl-4-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID138980158
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name6-methyl-4-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESCc1ccc(-c2nc(=O)[nH]c(C)c2C(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2O/c1-7-3-5-9(6-4-7)11-10(13(14,15)16)8(2)17-12(19)18-11/h3-6H,1-2H3,(H,17,18,19)
InChIKeyQIXLALXNCKUTQT-UHFFFAOYSA-N
XLogP3.07
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-methyl-4-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrimidin-2-one (CID 138980158) is 6-methyl-4-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-methyl-4-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-methyl-4-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrimidin-2-one is Cc1ccc(-c2nc(=O)[nH]c(C)c2C(F)(F)F)cc1.
What is the InChIKey of 6-methyl-4-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is QIXLALXNCKUTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-7-3-5-9(6-4-7)11-10(13(14,15)16)8(2)17-12(19)18-11/h3-6H,1-2H3,(H,17,18,19).
What are the key properties of 6-methyl-4-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrimidin-2-one?
6-methyl-4-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 268.24 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 138980158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).