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

C18H13F3N2O — CID 137296058

IUPAC4-(4-methylphenyl)-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2nc(-c3ccccc3)[nH]c(=O)c2C(F)(F)F)cc1
InChIInChI=1S/C18H13F3N2O/c1-11-7-9-12(10-8-11)15-14(18(19,20)21)17(24)23-16(22-15)13-5-3-2-4-6-13/h2-10H,1H3,(H,22,23,24)
InChIKeySVPSSPBDGALELT-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.43
Rot. Bonds2

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

4-(4-methylphenyl)-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 137296058) has the molecular formula C18H13F3N2O and a molecular weight of 330.31 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID137296058
Molecular FormulaC18H13F3N2O
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC Name4-(4-methylphenyl)-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2nc(-c3ccccc3)[nH]c(=O)c2C(F)(F)F)cc1
InChIInChI=1S/C18H13F3N2O/c1-11-7-9-12(10-8-11)15-14(18(19,20)21)17(24)23-16(22-15)13-5-3-2-4-6-13/h2-10H,1H3,(H,22,23,24)
InChIKeySVPSSPBDGALELT-UHFFFAOYSA-N
XLogP4.43
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Xav-939
CID 135418940
6-Methyl-2-phenylpyrimidin-4-ol
CID 135448999
6-Methyl-2-(4-(trifluoromethyl)phenyl)pyrimidin-4-ol
CID 135435537
3,5-diphenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 2810970
(5Z)-5-(4-fluorobenzylidene)-2-(4-methylphenyl)-3,5-dihydro-4H-imidazol-4-one
CID 135517621
5-Methyl-2,6-diphenyl-4-pyrimidinol
CID 135401354
6-Methyl-2-(3-methylphenyl)pyrimidin-4-ol
CID 135472983
4-Hydroxy-2,6-diphenyl-5-pyrimidinecarbonitrile
CID 135409737
4-Hydroxy-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 135410007
6-(Nonafluorobutyl)-2-phenylpyrimidin-4(3H)-one
CID 135446520
2-phenyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-ol
CID 135753389
6-Methyl-5-(2-methylprop-2-en-1-yl)-2-phenylpyrimidin-4-ol
CID 135449249

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-methylphenyl)-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one (CID 137296058) is 4-(4-methylphenyl)-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-methylphenyl)-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-methylphenyl)-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one is Cc1ccc(-c2nc(-c3ccccc3)[nH]c(=O)c2C(F)(F)F)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is SVPSSPBDGALELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O/c1-11-7-9-12(10-8-11)15-14(18(19,20)21)17(24)23-16(22-15)13-5-3-2-4-6-13/h2-10H,1H3,(H,22,23,24).
What are the key properties of 4-(4-methylphenyl)-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one?
4-(4-methylphenyl)-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 330.31 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137296058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).