2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

C13H10F3N3O — CID 47255196

IUPAC2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H10F3N3O/c1-8-17-6-5-11(18-8)12(20)19-10-4-2-3-9(7-10)13(14,15)16/h2-7H,1H3,(H,19,20)
InChIKeyDXKLZTMIOYNPIZ-UHFFFAOYSA-N
MW281.24 g/mol
LogP3.06
Rot. Bonds2

About 2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 47255196) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is 2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID47255196
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC Name2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H10F3N3O/c1-8-17-6-5-11(18-8)12(20)19-10-4-2-3-9(7-10)13(14,15)16/h2-7H,1H3,(H,19,20)
InChIKeyDXKLZTMIOYNPIZ-UHFFFAOYSA-N
XLogP3.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297217
6-(tert-butylamino)-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109373720
2-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091236
6-amino-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62238899
6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093750
2-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109315551
N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 47255119
6-N-cyclopropyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093945
6-N-cyclohexyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109095374
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109093176
4-[(3-methylphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109210364
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (CID 47255196) is 2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is Cc1nccc(C(=O)Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is DXKLZTMIOYNPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c1-8-17-6-5-11(18-8)12(20)19-10-4-2-3-9(7-10)13(14,15)16/h2-7H,1H3,(H,19,20).
What are the key properties of 2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 281.24 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 47255196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).