4,6-dibenzyl-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2,4-dimethylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2-ethylphenyl)-1,3,5-triazin-2-amine;ethyl 2-[[4-benzyl-6-[[2-(methylperoxymethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]benzoate

C101H95ClN16O4 — CID 161346778

IUPAC4,6-dibenzyl-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2,4-dimethylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2-ethylphenyl)-1,3,5-triazin-2-amine;ethyl 2-[[4-benzyl-6-[[2-(methylperoxymethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1nc(Cc2ccccc2)nc(Cc2ccccc2COOC)n1.CCc1ccccc1Nc1nc(Cc2ccccc2)nc(Cc2ccccc2)n1.Cc1ccc(Nc2nc(Cc3ccccc3)nc(Cc3ccccc3)n2)c(C)c1.Clc1ccccc1Nc1nc(Cc2ccccc2)nc(Cc2ccccc2)n1
InChIInChI=1S/C28H28N4O4.2C25H24N4.C23H19ClN4/c1-3-35-27(33)23-15-9-10-16-24(23)29-28-31-25(17-20-11-5-4-6-12-20)30-26(32-28)18-21-13-7-8-14-22(21)19-36-34-2;1-18-13-14-22(19(2)15-18)26-25-28-23(16-20-9-5-3-6-10-20)27-24(29-25)17-21-11-7-4-8-12-21;1-2-21-15-9-10-16-22(21)26-25-28-23(17-19-11-5-3-6-12-19)27-24(29-25)18-20-13-7-4-8-14-20;24-19-13-7-8-14-20(19)25-23-27-21(15-17-9-3-1-4-10-17)26-22(28-23)16-18-11-5-2-6-12-18/h4-16H,3,17-19H2,1-2H3,(H,29,30,31,32);3-15H,16-17H2,1-2H3,(H,26,27,28,29);3-16H,2,17-18H2,1H3,(H,26,27,28,29);1-14H,15-16H2,(H,25,26,27,28)
InChIKeyVNKDWEBEOVNRNQ-UHFFFAOYSA-N
MW1632.43 g/mol
LogP21.27
Rot. Bonds30

About 4,6-dibenzyl-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2,4-dimethylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2-ethylphenyl)-1,3,5-triazin-2-amine;ethyl 2-[[4-benzyl-6-[[2-(methylperoxymethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]benzoate

4,6-dibenzyl-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2,4-dimethylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2-ethylphenyl)-1,3,5-triazin-2-amine;ethyl 2-[[4-benzyl-6-[[2-(methylperoxymethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]benzoate (PubChem CID 161346778) has the molecular formula C101H95ClN16O4 and a molecular weight of 1632.43 g/mol. Its IUPAC name is 4,6-dibenzyl-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2,4-dimethylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2-ethylphenyl)-1,3,5-triazin-2-amine;ethyl 2-[[4-benzyl-6-[[2-(methylperoxymethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]benzoate.

Molecular Properties

Compound Name4,6-dibenzyl-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2,4-dimethylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2-ethylphenyl)-1,3,5-triazin-2-amine;ethyl 2-[[4-benzyl-6-[[2-(methylperoxymethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]benzoate
PubChem CID161346778
Molecular FormulaC101H95ClN16O4
Molecular Weight1632.43 g/mol
Exact Mass1630.74
IUPAC Name4,6-dibenzyl-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2,4-dimethylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2-ethylphenyl)-1,3,5-triazin-2-amine;ethyl 2-[[4-benzyl-6-[[2-(methylperoxymethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1nc(Cc2ccccc2)nc(Cc2ccccc2COOC)n1.CCc1ccccc1Nc1nc(Cc2ccccc2)nc(Cc2ccccc2)n1.Cc1ccc(Nc2nc(Cc3ccccc3)nc(Cc3ccccc3)n2)c(C)c1.Clc1ccccc1Nc1nc(Cc2ccccc2)nc(Cc2ccccc2)n1
InChIInChI=1S/C28H28N4O4.2C25H24N4.C23H19ClN4/c1-3-35-27(33)23-15-9-10-16-24(23)29-28-31-25(17-20-11-5-4-6-12-20)30-26(32-28)18-21-13-7-8-14-22(21)19-36-34-2;1-18-13-14-22(19(2)15-18)26-25-28-23(16-20-9-5-3-6-10-20)27-24(29-25)17-21-11-7-4-8-12-21;1-2-21-15-9-10-16-22(21)26-25-28-23(17-19-11-5-3-6-12-19)27-24(29-25)18-20-13-7-4-8-14-20;24-19-13-7-8-14-20(19)25-23-27-21(15-17-9-3-1-4-10-17)26-22(28-23)16-18-11-5-2-6-12-18/h4-16H,3,17-19H2,1-2H3,(H,29,30,31,32);3-15H,16-17H2,1-2H3,(H,26,27,28,29);3-16H,2,17-18H2,1H3,(H,26,27,28,29);1-14H,15-16H2,(H,25,26,27,28)
InChIKeyVNKDWEBEOVNRNQ-UHFFFAOYSA-N
XLogP21.27
TPSA247.56 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds30
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001632.43
LogP ≤ 521.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 4,6-dibenzyl-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2,4-dimethylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2-ethylphenyl)-1,3,5-triazin-2-amine;ethyl 2-[[4-benzyl-6-[[2-(methylperoxymethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]benzoate with MolForge

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Related Compounds

ethyl 2-[(4,6-dibenzyl-1,3,5-triazin-2-yl)amino]benzoate
CID 58090757
2-N-(2,4-dimethylphenyl)-6-methyl-4-N-[2-(methylperoxymethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 88885125
2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(2-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;ethyl 4-[[4-(4-methoxyanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]benzoate
CID 157336387
ethyl 2-[[4-(4-chloro-2-methylanilino)pyrimidin-2-yl]amino]benzoate
CID 112904014
methyl 2-[[5-(2,4-dimethylanilino)-1,2,4-triazin-3-yl]amino]benzoate
CID 112962994
ethyl 2-[[5-amino-6-(2-chloroanilino)pyrimidin-4-yl]amino]benzoate
CID 19147988
ethyl 2-[[3-(2,5-dimethylanilino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112963290
ethyl 2-[[2-(2-chloro-4-methylanilino)acetyl]amino]benzoate
CID 9099399
ethyl 2-[(2-chloro-4,6-dimethylphenyl)carbamoylamino]benzoate
CID 108991922
ethyl 2-[(2,5-dimethylphenyl)carbamoylamino]benzoate
CID 108991348
methyl 2-[[2-(2,4-dimethylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109314723
ethyl 2-[(2-methylphenyl)methylamino]benzoate
CID 43217386

Frequently Asked Questions

What is the IUPAC name of 4,6-dibenzyl-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2,4-dimethylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2-ethylphenyl)-1,3,5-triazin-2-amine;ethyl 2-[[4-benzyl-6-[[2-(methylperoxymethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]benzoate?
The IUPAC name of 4,6-dibenzyl-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2,4-dimethylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2-ethylphenyl)-1,3,5-triazin-2-amine;ethyl 2-[[4-benzyl-6-[[2-(methylperoxymethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]benzoate (CID 161346778) is 4,6-dibenzyl-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2,4-dimethylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2-ethylphenyl)-1,3,5-triazin-2-amine;ethyl 2-[[4-benzyl-6-[[2-(methylperoxymethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]benzoate.
What is the SMILES notation for 4,6-dibenzyl-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2,4-dimethylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2-ethylphenyl)-1,3,5-triazin-2-amine;ethyl 2-[[4-benzyl-6-[[2-(methylperoxymethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]benzoate?
The canonical SMILES for 4,6-dibenzyl-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2,4-dimethylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2-ethylphenyl)-1,3,5-triazin-2-amine;ethyl 2-[[4-benzyl-6-[[2-(methylperoxymethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]benzoate is CCOC(=O)c1ccccc1Nc1nc(Cc2ccccc2)nc(Cc2ccccc2COOC)n1.CCc1ccccc1Nc1nc(Cc2ccccc2)nc(Cc2ccccc2)n1.Cc1ccc(Nc2nc(Cc3ccccc3)nc(Cc3ccccc3)n2)c(C)c1.Clc1ccccc1Nc1nc(Cc2ccccc2)nc(Cc2ccccc2)n1.
What is the InChIKey of 4,6-dibenzyl-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2,4-dimethylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2-ethylphenyl)-1,3,5-triazin-2-amine;ethyl 2-[[4-benzyl-6-[[2-(methylperoxymethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]benzoate?
The InChIKey is VNKDWEBEOVNRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4.2C25H24N4.C23H19ClN4/c1-3-35-27(33)23-15-9-10-16-24(23)29-28-31-25(17-20-11-5-4-6-12-20)30-26(32-28)18-21-13-7-8-14-22(21)19-36-34-2;1-18-13-14-22(19(2)15-18)26-25-28-23(16-20-9-5-3-6-10-20)27-24(29-25)17-21-11-7-4-8-12-21;1-2-21-15-9-10-16-22(21)26-25-28-23(17-19-11-5-3-6-12-19)27-24(29-25)18-20-13-7-4-8-14-20;24-19-13-7-8-14-20(19)25-23-27-21(15-17-9-3-1-4-10-17)26-22(28-23)16-18-11-5-2-6-12-18/h4-16H,3,17-19H2,1-2H3,(H,29,30,31,32);3-15H,16-17H2,1-2H3,(H,26,27,28,29);3-16H,2,17-18H2,1H3,(H,26,27,28,29);1-14H,15-16H2,(H,25,26,27,28).
What are the key properties of 4,6-dibenzyl-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2,4-dimethylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2-ethylphenyl)-1,3,5-triazin-2-amine;ethyl 2-[[4-benzyl-6-[[2-(methylperoxymethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]benzoate?
4,6-dibenzyl-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2,4-dimethylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2-ethylphenyl)-1,3,5-triazin-2-amine;ethyl 2-[[4-benzyl-6-[[2-(methylperoxymethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]benzoate has a molecular weight of 1632.43 g/mol, XLogP of 21.27, 30 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibenzyl-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2,4-dimethylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2-ethylphenyl)-1,3,5-triazin-2-amine;ethyl 2-[[4-benzyl-6-[[2-(methylperoxymethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]benzoate is sourced from PubChem (CID 161346778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).