N-(2,6-dimethylphenyl)-4-[[4-methyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide

C27H23F3N4O2 — CID 72724857

IUPACN-(2,6-dimethylphenyl)-4-[[4-methyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
SMILESCc1cc(-c2ccc(OC(F)(F)F)cc2)nc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)n1
InChIInChI=1S/C27H23F3N4O2/c1-16-5-4-6-17(2)24(16)34-25(35)20-7-11-21(12-8-20)32-26-31-18(3)15-23(33-26)19-9-13-22(14-10-19)36-27(28,29)30/h4-15H,1-3H3,(H,34,35)(H,31,32,33)
InChIKeyXTCGGRNUDKFRID-UHFFFAOYSA-N
MW492.50 g/mol
LogP6.96
Rot. Bonds6

About N-(2,6-dimethylphenyl)-4-[[4-methyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide

N-(2,6-dimethylphenyl)-4-[[4-methyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide (PubChem CID 72724857) has the molecular formula C27H23F3N4O2 and a molecular weight of 492.50 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-[[4-methyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-[[4-methyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
PubChem CID72724857
Molecular FormulaC27H23F3N4O2
Molecular Weight492.50 g/mol
Exact Mass492.18
IUPAC NameN-(2,6-dimethylphenyl)-4-[[4-methyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
SMILESCc1cc(-c2ccc(OC(F)(F)F)cc2)nc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)n1
InChIInChI=1S/C27H23F3N4O2/c1-16-5-4-6-17(2)24(16)34-25(35)20-7-11-21(12-8-20)32-26-31-18(3)15-23(33-26)19-9-13-22(14-10-19)36-27(28,29)30/h4-15H,1-3H3,(H,34,35)(H,31,32,33)
InChIKeyXTCGGRNUDKFRID-UHFFFAOYSA-N
XLogP6.96
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.50
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,6-dimethylphenyl)-4-[[4-methyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]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

Gnf-2
CID 5311510
2-Fluoro-5-{2-methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzoic acid
CID 11696919
N-(2,6-dimethylphenyl)-4-[[4-propyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 72724859
N-(2,6-dimethylphenyl)-4-[[4-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 72724930
N-(2-methylphenyl)-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 72724932
N-[5-(ethylaminomethyl)-2-methylphenyl]-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 76314165
N-[2-methyl-5-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]phenyl]-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 76314166
N-[2-methyl-5-[(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)methyl]phenyl]-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 76314167
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methylphenyl]-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 76314188
N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 76321453
N-[2-methyl-5-[[methyl(propyl)amino]methyl]phenyl]-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 76328610
N-[5-[[bis(2-hydroxyethyl)amino]methyl]-2-methylphenyl]-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 76328612

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-[[4-methyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-[[4-methyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide (CID 72724857) is N-(2,6-dimethylphenyl)-4-[[4-methyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-[[4-methyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-[[4-methyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide is Cc1cc(-c2ccc(OC(F)(F)F)cc2)nc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)n1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-[[4-methyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide?
The InChIKey is XTCGGRNUDKFRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N4O2/c1-16-5-4-6-17(2)24(16)34-25(35)20-7-11-21(12-8-20)32-26-31-18(3)15-23(33-26)19-9-13-22(14-10-19)36-27(28,29)30/h4-15H,1-3H3,(H,34,35)(H,31,32,33).
What are the key properties of N-(2,6-dimethylphenyl)-4-[[4-methyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide?
N-(2,6-dimethylphenyl)-4-[[4-methyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide has a molecular weight of 492.50 g/mol, XLogP of 6.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-[[4-methyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 72724857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).