4,6-dibenzyl-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-2-yl-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-4-yl-1,3,5-triazin-2-amine

C92H82N18OS — CID 159810413

IUPAC4,6-dibenzyl-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-2-yl-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-4-yl-1,3,5-triazin-2-amine
SMILESCOc1cccc(Nc2nc(Cc3ccccc3)nc(Cc3ccccc3)n2)c1.CSc1cccc(Nc2nc(Cc3ccccc3)nc(Cc3ccccc3)n2)c1.c1ccc(Cc2nc(Cc3ccccc3)nc(Nc3ccccn3)n2)cc1.c1ccc(Cc2nc(Cc3ccccc3)nc(Nc3ccncc3)n2)cc1
InChIInChI=1S/C24H22N4O.C24H22N4S.2C22H19N5/c2*1-29-21-14-8-13-20(17-21)25-24-27-22(15-18-9-4-2-5-10-18)26-23(28-24)16-19-11-6-3-7-12-19;1-3-9-17(10-4-1)15-20-24-21(16-18-11-5-2-6-12-18)27-22(26-20)25-19-13-7-8-14-23-19;1-3-7-17(8-4-1)15-20-25-21(16-18-9-5-2-6-10-18)27-22(26-20)24-19-11-13-23-14-12-19/h2*2-14,17H,15-16H2,1H3,(H,25,26,27,28);2*1-14H,15-16H2,(H,23,24,25,26,27)
InChIKeyNKYIIUPYGWPWRQ-UHFFFAOYSA-N
MW1487.86 g/mol
LogP18.71
Rot. Bonds26

About 4,6-dibenzyl-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-2-yl-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-4-yl-1,3,5-triazin-2-amine

4,6-dibenzyl-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-2-yl-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-4-yl-1,3,5-triazin-2-amine (PubChem CID 159810413) has the molecular formula C92H82N18OS and a molecular weight of 1487.86 g/mol. Its IUPAC name is 4,6-dibenzyl-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-2-yl-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dibenzyl-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-2-yl-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-4-yl-1,3,5-triazin-2-amine
PubChem CID159810413
Molecular FormulaC92H82N18OS
Molecular Weight1487.86 g/mol
Exact Mass1486.66
IUPAC Name4,6-dibenzyl-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-2-yl-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-4-yl-1,3,5-triazin-2-amine
SMILESCOc1cccc(Nc2nc(Cc3ccccc3)nc(Cc3ccccc3)n2)c1.CSc1cccc(Nc2nc(Cc3ccccc3)nc(Cc3ccccc3)n2)c1.c1ccc(Cc2nc(Cc3ccccc3)nc(Nc3ccccn3)n2)cc1.c1ccc(Cc2nc(Cc3ccccc3)nc(Nc3ccncc3)n2)cc1
InChIInChI=1S/C24H22N4O.C24H22N4S.2C22H19N5/c2*1-29-21-14-8-13-20(17-21)25-24-27-22(15-18-9-4-2-5-10-18)26-23(28-24)16-19-11-6-3-7-12-19;1-3-9-17(10-4-1)15-20-24-21(16-18-11-5-2-6-12-18)27-22(26-20)25-19-13-7-8-14-23-19;1-3-7-17(8-4-1)15-20-25-21(16-18-9-5-2-6-10-18)27-22(26-20)24-19-11-13-23-14-12-19/h2*2-14,17H,15-16H2,1H3,(H,25,26,27,28);2*1-14H,15-16H2,(H,23,24,25,26,27)
InChIKeyNKYIIUPYGWPWRQ-UHFFFAOYSA-N
XLogP18.71
TPSA237.81 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001487.86
LogP ≤ 518.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 4,6-dibenzyl-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-2-yl-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-4-yl-1,3,5-triazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,6-dibenzyl-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-2-yl-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dibenzyl-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-2-yl-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-4-yl-1,3,5-triazin-2-amine (CID 159810413) is 4,6-dibenzyl-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-2-yl-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dibenzyl-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-2-yl-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dibenzyl-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-2-yl-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-4-yl-1,3,5-triazin-2-amine is COc1cccc(Nc2nc(Cc3ccccc3)nc(Cc3ccccc3)n2)c1.CSc1cccc(Nc2nc(Cc3ccccc3)nc(Cc3ccccc3)n2)c1.c1ccc(Cc2nc(Cc3ccccc3)nc(Nc3ccccn3)n2)cc1.c1ccc(Cc2nc(Cc3ccccc3)nc(Nc3ccncc3)n2)cc1.
What is the InChIKey of 4,6-dibenzyl-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-2-yl-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is NKYIIUPYGWPWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O.C24H22N4S.2C22H19N5/c2*1-29-21-14-8-13-20(17-21)25-24-27-22(15-18-9-4-2-5-10-18)26-23(28-24)16-19-11-6-3-7-12-19;1-3-9-17(10-4-1)15-20-24-21(16-18-11-5-2-6-12-18)27-22(26-20)25-19-13-7-8-14-23-19;1-3-7-17(8-4-1)15-20-25-21(16-18-9-5-2-6-10-18)27-22(26-20)24-19-11-13-23-14-12-19/h2*2-14,17H,15-16H2,1H3,(H,25,26,27,28);2*1-14H,15-16H2,(H,23,24,25,26,27).
What are the key properties of 4,6-dibenzyl-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-2-yl-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-4-yl-1,3,5-triazin-2-amine?
4,6-dibenzyl-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-2-yl-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 1487.86 g/mol, XLogP of 18.71, 26 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibenzyl-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(3-methylsulfanylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-2-yl-1,3,5-triazin-2-amine;4,6-dibenzyl-N-pyridin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 159810413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).