N-(2,6-dimethylphenyl)-4-[methyl-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide

C28H25F3N4O2 — CID 72724931

IUPACN-(2,6-dimethylphenyl)-4-[methyl-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
SMILESCc1cnc(N(C)c2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C28H25F3N4O2/c1-17-6-5-7-18(2)24(17)33-26(36)21-8-12-22(13-9-21)35(4)27-32-16-19(3)25(34-27)20-10-14-23(15-11-20)37-28(29,30)31/h5-16H,1-4H3,(H,33,36)
InChIKeyXIVGLIFGANYWTO-UHFFFAOYSA-N
MW506.53 g/mol
LogP6.99
Rot. Bonds6

About N-(2,6-dimethylphenyl)-4-[methyl-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide

N-(2,6-dimethylphenyl)-4-[methyl-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide (PubChem CID 72724931) has the molecular formula C28H25F3N4O2 and a molecular weight of 506.53 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-[methyl-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-[methyl-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
PubChem CID72724931
Molecular FormulaC28H25F3N4O2
Molecular Weight506.53 g/mol
Exact Mass506.19
IUPAC NameN-(2,6-dimethylphenyl)-4-[methyl-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
SMILESCc1cnc(N(C)c2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C28H25F3N4O2/c1-17-6-5-7-18(2)24(17)33-26(36)21-8-12-22(13-9-21)35(4)27-32-16-19(3)25(34-27)20-10-14-23(15-11-20)37-28(29,30)31/h5-16H,1-4H3,(H,33,36)
InChIKeyXIVGLIFGANYWTO-UHFFFAOYSA-N
XLogP6.99
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.53
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Gnf-2
CID 5311510
5-(2-(2-aminopyrimidin-5-yl)ethynyl)-2-methoxy-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)benzamide
CID 11620207
Pyridinyl pyrimidine 40
CID 11655925
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(4-(trifluoromethyl)phenyl)benzamide
CID 16108987
[2-Azanyl-4-(trifluoromethyloxy)phenyl]-[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]methanone
CID 137333967
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

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-[methyl-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-[methyl-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide (CID 72724931) is N-(2,6-dimethylphenyl)-4-[methyl-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-[methyl-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-[methyl-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide is Cc1cnc(N(C)c2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-[methyl-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide?
The InChIKey is XIVGLIFGANYWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N4O2/c1-17-6-5-7-18(2)24(17)33-26(36)21-8-12-22(13-9-21)35(4)27-32-16-19(3)25(34-27)20-10-14-23(15-11-20)37-28(29,30)31/h5-16H,1-4H3,(H,33,36).
What are the key properties of N-(2,6-dimethylphenyl)-4-[methyl-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide?
N-(2,6-dimethylphenyl)-4-[methyl-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide has a molecular weight of 506.53 g/mol, XLogP of 6.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-[methyl-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 72724931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).