N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-2-(trifluoromethyl)benzamide

C23H17F3N6O — CID 141117667

IUPACN-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1Nc1nccc(-c2cncnc2)n1
InChIInChI=1S/C23H17F3N6O/c1-14-6-7-16(30-21(33)17-4-2-3-5-18(17)23(24,25)26)10-20(14)32-22-29-9-8-19(31-22)15-11-27-13-28-12-15/h2-13H,1H3,(H,30,33)(H,29,31,32)
InChIKeyZJPZVPXKJKMSPJ-UHFFFAOYSA-N
MW450.42 g/mol
LogP5.26
Rot. Bonds5

About N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-2-(trifluoromethyl)benzamide

N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-2-(trifluoromethyl)benzamide (PubChem CID 141117667) has the molecular formula C23H17F3N6O and a molecular weight of 450.42 g/mol. Its IUPAC name is N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-2-(trifluoromethyl)benzamide
PubChem CID141117667
Molecular FormulaC23H17F3N6O
Molecular Weight450.42 g/mol
Exact Mass450.14
IUPAC NameN-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1Nc1nccc(-c2cncnc2)n1
InChIInChI=1S/C23H17F3N6O/c1-14-6-7-16(30-21(33)17-4-2-3-5-18(17)23(24,25)26)10-20(14)32-22-29-9-8-19(31-22)15-11-27-13-28-12-15/h2-13H,1H3,(H,30,33)(H,29,31,32)
InChIKeyZJPZVPXKJKMSPJ-UHFFFAOYSA-N
XLogP5.26
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.42
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-2-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]-2-(trifluoromethyl)benzenediazonium tetrafluoroborate
CID 134883424
5-bromo-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(trifluoromethyl)thiophene-2-carboxamide
CID 155968723
3-[(4-ethylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-(trifluoromethyl)benzamide
CID 68693186
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3,5-bis(trifluoromethyl)benzamide;hydrobromide
CID 66555548
4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 23145911
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(trifluoromethoxy)benzamide
CID 10298544
N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-pentylbenzamide
CID 11597628
4-(2-methylimidazol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 11756741
N-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]-4-(1-piperidin-4-ylethyl)-2-(trifluoromethyl)benzamide
CID 174502926
4-[[(3R)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 68692420
4-[[(3S)-3-aminopiperidin-1-yl]methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 68690269
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-5-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 11648694

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-2-(trifluoromethyl)benzamide (CID 141117667) is N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-2-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1Nc1nccc(-c2cncnc2)n1.
What is the InChIKey of N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-2-(trifluoromethyl)benzamide?
The InChIKey is ZJPZVPXKJKMSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6O/c1-14-6-7-16(30-21(33)17-4-2-3-5-18(17)23(24,25)26)10-20(14)32-22-29-9-8-19(31-22)15-11-27-13-28-12-15/h2-13H,1H3,(H,30,33)(H,29,31,32).
What are the key properties of N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-2-(trifluoromethyl)benzamide?
N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 450.42 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 141117667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).