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

C13H10F3N3O — CID 110860737

IUPAC6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C(F)(F)F)ncn1
InChIInChI=1S/C13H10F3N3O/c1-8-6-11(18-7-17-8)12(20)19-10-5-3-2-4-9(10)13(14,15)16/h2-7H,1H3,(H,19,20)
InChIKeyMKPCPRHENYSTOX-UHFFFAOYSA-N
MW281.24 g/mol
LogP3.06
Rot. Bonds2

About 6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 110860737) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is 6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID110860737
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC Name6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C(F)(F)F)ncn1
InChIInChI=1S/C13H10F3N3O/c1-8-6-11(18-7-17-8)12(20)19-10-5-3-2-4-9(10)13(14,15)16/h2-7H,1H3,(H,19,20)
InChIKeyMKPCPRHENYSTOX-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

6-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109358063
4-N-(2-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091026
6-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109341925
4-(2-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109219031
6-oxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-carboxamide
CID 136666349
6-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109358798
N-(2-cyanophenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109359290
5-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81319297
2-(butylamino)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109320553
5-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 19508083
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109093173
2-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 110691495

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (CID 110860737) is 6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccccc2C(F)(F)F)ncn1.
What is the InChIKey of 6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is MKPCPRHENYSTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c1-8-6-11(18-7-17-8)12(20)19-10-5-3-2-4-9(10)13(14,15)16/h2-7H,1H3,(H,19,20).
What are the key properties of 6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
6-methyl-N-[2-(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 6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 110860737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).