2,4,6-trimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide

C15H14F3N3O — CID 110860959

IUPAC2,4,6-trimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)n1
InChIInChI=1S/C15H14F3N3O/c1-8-13(9(2)20-10(3)19-8)14(22)21-12-6-4-11(5-7-12)15(16,17)18/h4-7H,1-3H3,(H,21,22)
InChIKeyXIHPPBBIFUKZJQ-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.67
Rot. Bonds2

About 2,4,6-trimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide

2,4,6-trimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide (PubChem CID 110860959) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
PubChem CID110860959
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC Name2,4,6-trimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)n1
InChIInChI=1S/C15H14F3N3O/c1-8-13(9(2)20-10(3)19-8)14(22)21-12-6-4-11(5-7-12)15(16,17)18/h4-7H,1-3H3,(H,21,22)
InChIKeyXIHPPBBIFUKZJQ-UHFFFAOYSA-N
XLogP3.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110860112
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110863765
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 110860901
2-methyl-6-(4-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 112848375
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 110766224
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 135896930
6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 113207376
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide
CID 110683987
5-(113C)methyl-N-[4-(trifluoromethyl)phenyl]-(4,5-13C2)1,2-oxazole-4-carboxamide
CID 10869480
4-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860907

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 2,4,6-trimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide (CID 110860959) is 2,4,6-trimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2,4,6-trimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)n1.
What is the InChIKey of 2,4,6-trimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The InChIKey is XIHPPBBIFUKZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O/c1-8-13(9(2)20-10(3)19-8)14(22)21-12-6-4-11(5-7-12)15(16,17)18/h4-7H,1-3H3,(H,21,22).
What are the key properties of 2,4,6-trimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
2,4,6-trimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide has a molecular weight of 309.29 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 110860959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).