N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-(trifluoromethyl)benzamide

C13H10F3N3O2 — CID 136782525

IUPACN-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-(trifluoromethyl)benzamide
SMILESCc1nc(NC(=O)c2ccc(C(F)(F)F)cc2)cc(=O)[nH]1
InChIInChI=1S/C13H10F3N3O2/c1-7-17-10(6-11(20)18-7)19-12(21)8-2-4-9(5-3-8)13(14,15)16/h2-6H,1H3,(H2,17,18,19,20,21)
InChIKeyADELSEDJJRWFOM-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.35
Rot. Bonds2

About N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-(trifluoromethyl)benzamide

N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-(trifluoromethyl)benzamide (PubChem CID 136782525) has the molecular formula C13H10F3N3O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-(trifluoromethyl)benzamide
PubChem CID136782525
Molecular FormulaC13H10F3N3O2
Molecular Weight297.24 g/mol
Exact Mass297.07
IUPAC NameN-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-(trifluoromethyl)benzamide
SMILESCc1nc(NC(=O)c2ccc(C(F)(F)F)cc2)cc(=O)[nH]1
InChIInChI=1S/C13H10F3N3O2/c1-7-17-10(6-11(20)18-7)19-12(21)8-2-4-9(5-3-8)13(14,15)16/h2-6H,1H3,(H2,17,18,19,20,21)
InChIKeyADELSEDJJRWFOM-UHFFFAOYSA-N
XLogP2.35
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-oxo-N-[4-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxamide
CID 110698736
2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 136982923
4-methyl-N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzamide
CID 136956188
N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)benzamide
CID 15212148
2-methyl-6-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxamide
CID 110698735
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
N-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982541
N-(2-amino-6-methylphenyl)-4-(trifluoromethyl)benzamide
CID 43152274
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109050141
N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 2102456
N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
CID 7770720
N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 4801581

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-(trifluoromethyl)benzamide (CID 136782525) is N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-(trifluoromethyl)benzamide is Cc1nc(NC(=O)c2ccc(C(F)(F)F)cc2)cc(=O)[nH]1.
What is the InChIKey of N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is ADELSEDJJRWFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2/c1-7-17-10(6-11(20)18-7)19-12(21)8-2-4-9(5-3-8)13(14,15)16/h2-6H,1H3,(H2,17,18,19,20,21).
What are the key properties of N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-(trifluoromethyl)benzamide?
N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 297.24 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 136782525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).