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

C25H32N8O — CID 70685983

IUPAC4-[[4-[[4-amino-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide
SMILESCc1cc(C)c(Nc2nc(N)nc(NC3CCN(Cc4ccc(C(N)=O)cc4)CC3)n2)c(C)c1
InChIInChI=1S/C25H32N8O/c1-15-12-16(2)21(17(3)13-15)29-25-31-23(27)30-24(32-25)28-20-8-10-33(11-9-20)14-18-4-6-19(7-5-18)22(26)34/h4-7,12-13,20H,8-11,14H2,1-3H3,(H2,26,34)(H4,27,28,29,30,31,32)
InChIKeyFOXORXDCTMBXID-UHFFFAOYSA-N
MW460.59 g/mol
LogP3.30
Rot. Bonds7

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

4-[[4-[[4-amino-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide (PubChem CID 70685983) has the molecular formula C25H32N8O and a molecular weight of 460.59 g/mol. Its IUPAC name is 4-[[4-[[4-amino-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-[[4-amino-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide
PubChem CID70685983
Molecular FormulaC25H32N8O
Molecular Weight460.59 g/mol
Exact Mass460.27
IUPAC Name4-[[4-[[4-amino-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide
SMILESCc1cc(C)c(Nc2nc(N)nc(NC3CCN(Cc4ccc(C(N)=O)cc4)CC3)n2)c(C)c1
InChIInChI=1S/C25H32N8O/c1-15-12-16(2)21(17(3)13-15)29-25-31-23(27)30-24(32-25)28-20-8-10-33(11-9-20)14-18-4-6-19(7-5-18)22(26)34/h4-7,12-13,20H,8-11,14H2,1-3H3,(H2,26,34)(H4,27,28,29,30,31,32)
InChIKeyFOXORXDCTMBXID-UHFFFAOYSA-N
XLogP3.30
TPSA135.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.59
LogP ≤ 53.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

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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-amino-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[4-[[4-amino-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide (CID 70685983) is 4-[[4-[[4-amino-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-amino-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-[[4-amino-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide is Cc1cc(C)c(Nc2nc(N)nc(NC3CCN(Cc4ccc(C(N)=O)cc4)CC3)n2)c(C)c1.
What is the InChIKey of 4-[[4-[[4-amino-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide?
The InChIKey is FOXORXDCTMBXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O/c1-15-12-16(2)21(17(3)13-15)29-25-31-23(27)30-24(32-25)28-20-8-10-33(11-9-20)14-18-4-6-19(7-5-18)22(26)34/h4-7,12-13,20H,8-11,14H2,1-3H3,(H2,26,34)(H4,27,28,29,30,31,32).
What are the key properties of 4-[[4-[[4-amino-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide?
4-[[4-[[4-amino-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide has a molecular weight of 460.59 g/mol, XLogP of 3.30, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[4-amino-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 70685983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).