4-[[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide

C26H34N8O — CID 66561647

IUPAC4-[[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide
SMILESCNc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)n1
InChIInChI=1S/C26H34N8O/c1-16-13-17(2)22(18(3)14-16)30-26-32-24(28-4)31-25(33-26)29-21-9-11-34(12-10-21)15-19-5-7-20(8-6-19)23(27)35/h5-8,13-14,21H,9-12,15H2,1-4H3,(H2,27,35)(H3,28,29,30,31,32,33)
InChIKeyKZUSBVZDZBFVPY-UHFFFAOYSA-N
MW474.61 g/mol
LogP3.76
Rot. Bonds8

About 4-[[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide

4-[[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide (PubChem CID 66561647) has the molecular formula C26H34N8O and a molecular weight of 474.61 g/mol. Its IUPAC name is 4-[[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide
PubChem CID66561647
Molecular FormulaC26H34N8O
Molecular Weight474.61 g/mol
Exact Mass474.29
IUPAC Name4-[[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide
SMILESCNc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)n1
InChIInChI=1S/C26H34N8O/c1-16-13-17(2)22(18(3)14-16)30-26-32-24(28-4)31-25(33-26)29-21-9-11-34(12-10-21)15-19-5-7-20(8-6-19)23(27)35/h5-8,13-14,21H,9-12,15H2,1-4H3,(H2,27,35)(H3,28,29,30,31,32,33)
InChIKeyKZUSBVZDZBFVPY-UHFFFAOYSA-N
XLogP3.76
TPSA121.09 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-Methoxy-4-methyl-3-(4-(methyl(neopentyl)amino)-6-(piperazin-1-yl)-1,3,5-triazin-2-ylamino)benzamide
CID 11376336
3-(4-((3-(Aminomethyl)cyclohexyl)methylamino)-6-(cyclohexylamino)-1,3,5-triazin-2-ylamino)-N-methoxy-4-methylbenzamide
CID 23729163
3-(4-(3,3-Dimethylbutan-2-ylamino)-6-(3-methylbenzylamino)-1,3,5-triazin-2-ylamino)-N-methoxy-4-methylbenzamide
CID 42640798
3-(4-((3-(Aminomethyl)cyclohexyl)methylamino)-6-(3,3-dimethylbutan-2-ylamino)-1,3,5-triazin-2-ylamino)-N-methoxy-4-methylbenzamide
CID 42640797
N-methoxy-4-methyl-3-(4-(methyl(neopentyl)amino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-ylamino)benzamide
CID 11192376
4-methyl-3-(4-(methyl(2-phenylpropyl)amino)-6-((S)-pyrrolidin-3-ylamino)-1,3,5-triazin-2-ylamino)benzamide
CID 24821851
(S)-4-methyl-3-(4-(methyl(neopentyl)amino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-ylamino)benzamide
CID 24821915
(S)-N-ethyl-4-methyl-3-(4-(methyl(neopentyl)amino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-ylamino)benzamide
CID 24821916
(S)-N-benzyl-4-methyl-3-(4-(methyl(neopentyl)amino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-ylamino)benzamide
CID 24821917
(S)-N-isopropyl-4-methyl-3-(4-(methyl(neopentyl)-amino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-ylamino)-benzamide
CID 24821979
(S)-3-(4-(isobutylamino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-ylamino)-4-methylbenzamide
CID 44421260
(S)-3-(4-(isobutyl(methyl)amino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-ylamino)-4-methylbenzamide
CID 44421262

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide (CID 66561647) is 4-[[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide is CNc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)n1.
What is the InChIKey of 4-[[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide?
The InChIKey is KZUSBVZDZBFVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O/c1-16-13-17(2)22(18(3)14-16)30-26-32-24(28-4)31-25(33-26)29-21-9-11-34(12-10-21)15-19-5-7-20(8-6-19)23(27)35/h5-8,13-14,21H,9-12,15H2,1-4H3,(H2,27,35)(H3,28,29,30,31,32,33).
What are the key properties of 4-[[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide?
4-[[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide has a molecular weight of 474.61 g/mol, XLogP of 3.76, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 66561647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).