N-(3-fluoro-4-methylphenyl)-2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide

C14H11F4N3O — CID 146078610

IUPACN-(3-fluoro-4-methylphenyl)-2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(C)c(F)c2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H11F4N3O/c1-7-3-4-9(5-10(7)15)21-13(22)11-6-12(14(16,17)18)20-8(2)19-11/h3-6H,1-2H3,(H,21,22)
InChIKeyZYFNVILBKXAVPN-UHFFFAOYSA-N
MW313.25 g/mol
LogP3.50
Rot. Bonds2

About N-(3-fluoro-4-methylphenyl)-2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide

N-(3-fluoro-4-methylphenyl)-2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 146078610) has the molecular formula C14H11F4N3O and a molecular weight of 313.25 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID146078610
Molecular FormulaC14H11F4N3O
Molecular Weight313.25 g/mol
Exact Mass313.08
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(C)c(F)c2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H11F4N3O/c1-7-3-4-9(5-10(7)15)21-13(22)11-6-12(14(16,17)18)20-8(2)19-11/h3-6H,1-2H3,(H,21,22)
InChIKeyZYFNVILBKXAVPN-UHFFFAOYSA-N
XLogP3.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110865349
3-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 39369026
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 146078378
N-(3,4-difluorophenyl)-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360567
6-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849071
N-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110858651
1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxobutan-2-yl]-N-(3-fluoro-4-methylphenyl)pyrazole-3-carboxamide
CID 29097915
N-(3,4-difluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109371822
N-(3,4-difluorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846806
6-N-(3,4-difluorophenyl)-2-N-(3,4-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109100456
methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate
CID 31809423
2-imidazol-1-yl-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 170774168

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide (CID 146078610) is N-(3-fluoro-4-methylphenyl)-2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide is Cc1nc(C(=O)Nc2ccc(C)c(F)c2)cc(C(F)(F)F)n1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is ZYFNVILBKXAVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N3O/c1-7-3-4-9(5-10(7)15)21-13(22)11-6-12(14(16,17)18)20-8(2)19-11/h3-6H,1-2H3,(H,21,22).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
N-(3-fluoro-4-methylphenyl)-2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 313.25 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 146078610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).