N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide

C15H14F3N3O2 — CID 121137096

IUPACN-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
SMILESCOc1nc(C)c(NC(=O)c2ccccc2C(F)(F)F)c(C)n1
InChIInChI=1S/C15H14F3N3O2/c1-8-12(9(2)20-14(19-8)23-3)21-13(22)10-6-4-5-7-11(10)15(16,17)18/h4-7H,1-3H3,(H,21,22)
InChIKeyUIAPVSSCMVOISS-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.37
Rot. Bonds3

About N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide

N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide (PubChem CID 121137096) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
PubChem CID121137096
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC NameN-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
SMILESCOc1nc(C)c(NC(=O)c2ccccc2C(F)(F)F)c(C)n1
InChIInChI=1S/C15H14F3N3O2/c1-8-12(9(2)20-14(19-8)23-3)21-13(22)10-6-4-5-7-11(10)15(16,17)18/h4-7H,1-3H3,(H,21,22)
InChIKeyUIAPVSSCMVOISS-UHFFFAOYSA-N
XLogP3.37
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
CID 122355870
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
CID 122356464
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-phenoxybenzamide
CID 122302706
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-nitrobenzamide
CID 122302915
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide
CID 43546989
2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 7899789
N-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide
CID 108808047
3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 16774965
N-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)benzamide
CID 7778212
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-4-methylbenzamide
CID 91969122
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
methyl 2-(trifluoromethyl)benzoate
CID 2775578

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide (CID 121137096) is N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide is COc1nc(C)c(NC(=O)c2ccccc2C(F)(F)F)c(C)n1.
What is the InChIKey of N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is UIAPVSSCMVOISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-8-12(9(2)20-14(19-8)23-3)21-13(22)10-6-4-5-7-11(10)15(16,17)18/h4-7H,1-3H3,(H,21,22).
What are the key properties of N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide?
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 325.29 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 121137096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).