N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3,5-dimethoxybenzamide;2,2,2-trifluoroacetic acid

C24H32F3N5O5 — CID 68978911

IUPACN-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3,5-dimethoxybenzamide;2,2,2-trifluoroacetic acid
SMILESCOc1cc(OC)cc(C(=O)NC2CCC(Nc3nc(N(C)C)ncc3C)CC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H31N5O3.C2HF3O2/c1-14-13-23-22(27(2)3)26-20(14)24-16-6-8-17(9-7-16)25-21(28)15-10-18(29-4)12-19(11-15)30-5;3-2(4,5)1(6)7/h10-13,16-17H,6-9H2,1-5H3,(H,25,28)(H,23,24,26);(H,6,7)
InChIKeyXEFLPOLYAWIORH-UHFFFAOYSA-N
MW527.54 g/mol
LogP3.65
Rot. Bonds7

About N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3,5-dimethoxybenzamide;2,2,2-trifluoroacetic acid

N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3,5-dimethoxybenzamide;2,2,2-trifluoroacetic acid (PubChem CID 68978911) has the molecular formula C24H32F3N5O5 and a molecular weight of 527.54 g/mol. Its IUPAC name is N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3,5-dimethoxybenzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3,5-dimethoxybenzamide;2,2,2-trifluoroacetic acid
PubChem CID68978911
Molecular FormulaC24H32F3N5O5
Molecular Weight527.54 g/mol
Exact Mass527.24
IUPAC NameN-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3,5-dimethoxybenzamide;2,2,2-trifluoroacetic acid
SMILESCOc1cc(OC)cc(C(=O)NC2CCC(Nc3nc(N(C)C)ncc3C)CC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H31N5O3.C2HF3O2/c1-14-13-23-22(27(2)3)26-20(14)24-16-6-8-17(9-7-16)25-21(28)15-10-18(29-4)12-19(11-15)30-5;3-2(4,5)1(6)7/h10-13,16-17H,6-9H2,1-5H3,(H,25,28)(H,23,24,26);(H,6,7)
InChIKeyXEFLPOLYAWIORH-UHFFFAOYSA-N
XLogP3.65
TPSA125.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.54
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3,5-dimethoxybenzamide;2,2,2-trifluoroacetic acid 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

N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3,5-dimethoxybenzamide;2,2,2-trifluoroacetic acid
CID 162311266
N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethylbenzamide
CID 68980447
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 162306900
[4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexyl]carbamic acid
CID 141129534
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]acetamide;2,2,2-trifluoroacetic acid
CID 87996432
N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide
CID 87995828
N-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]-4-methoxybenzamide
CID 163399624
N-[4-[[4-(dimethylamino)-5,6-dimethylpyrimidin-2-yl]amino]cyclohexyl]-3-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 87995707
N-cyclopentyl-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 53299094
3-amino-N-(4-hydroxycyclohexyl)-5-methoxybenzamide
CID 81090332
N-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191583

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3,5-dimethoxybenzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3,5-dimethoxybenzamide;2,2,2-trifluoroacetic acid (CID 68978911) is N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3,5-dimethoxybenzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3,5-dimethoxybenzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3,5-dimethoxybenzamide;2,2,2-trifluoroacetic acid is COc1cc(OC)cc(C(=O)NC2CCC(Nc3nc(N(C)C)ncc3C)CC2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3,5-dimethoxybenzamide;2,2,2-trifluoroacetic acid?
The InChIKey is XEFLPOLYAWIORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3.C2HF3O2/c1-14-13-23-22(27(2)3)26-20(14)24-16-6-8-17(9-7-16)25-21(28)15-10-18(29-4)12-19(11-15)30-5;3-2(4,5)1(6)7/h10-13,16-17H,6-9H2,1-5H3,(H,25,28)(H,23,24,26);(H,6,7).
What are the key properties of N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3,5-dimethoxybenzamide;2,2,2-trifluoroacetic acid?
N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3,5-dimethoxybenzamide;2,2,2-trifluoroacetic acid has a molecular weight of 527.54 g/mol, XLogP of 3.65, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3,5-dimethoxybenzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68978911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).