4-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

C27H28N4O4 — CID 134997344

IUPAC4-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1ccc(Cc2nc(Nc3cc(OC)c(OC)c(OC)c3)nc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C27H28N4O4/c1-17-6-10-19(11-7-17)26-29-24(14-18-8-12-21(32-2)13-9-18)30-27(31-26)28-20-15-22(33-3)25(35-5)23(16-20)34-4/h6-13,15-16H,14H2,1-5H3,(H,28,29,30,31)
InChIKeyQUAVROQYFZHEPX-UHFFFAOYSA-N
MW472.55 g/mol
LogP5.22
Rot. Bonds9

About 4-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

4-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 134997344) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID134997344
Molecular FormulaC27H28N4O4
Molecular Weight472.55 g/mol
Exact Mass472.21
IUPAC Name4-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1ccc(Cc2nc(Nc3cc(OC)c(OC)c(OC)c3)nc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C27H28N4O4/c1-17-6-10-19(11-7-17)26-29-24(14-18-8-12-21(32-2)13-9-18)30-27(31-26)28-20-15-22(33-3)25(35-5)23(16-20)34-4/h6-13,15-16H,14H2,1-5H3,(H,28,29,30,31)
InChIKeyQUAVROQYFZHEPX-UHFFFAOYSA-N
XLogP5.22
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (CID 134997344) is 4-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is COc1ccc(Cc2nc(Nc3cc(OC)c(OC)c(OC)c3)nc(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is QUAVROQYFZHEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4/c1-17-6-10-19(11-7-17)26-29-24(14-18-8-12-21(32-2)13-9-18)30-27(31-26)28-20-15-22(33-3)25(35-5)23(16-20)34-4/h6-13,15-16H,14H2,1-5H3,(H,28,29,30,31).
What are the key properties of 4-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
4-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 472.55 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 134997344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).