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

C24H20Cl2N4O — CID 58090716

IUPAC4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(Cc3cccc(Cl)c3)nc(Cc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C24H20Cl2N4O/c1-31-21-10-8-20(9-11-21)27-24-29-22(14-16-4-2-6-18(25)12-16)28-23(30-24)15-17-5-3-7-19(26)13-17/h2-13H,14-15H2,1H3,(H,27,28,29,30)
InChIKeyQVJTXMMXDFIPKW-UHFFFAOYSA-N
MW451.36 g/mol
LogP6.11
Rot. Bonds7

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

4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 58090716) has the molecular formula C24H20Cl2N4O and a molecular weight of 451.36 g/mol. Its IUPAC name is 4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID58090716
Molecular FormulaC24H20Cl2N4O
Molecular Weight451.36 g/mol
Exact Mass450.10
IUPAC Name4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(Cc3cccc(Cl)c3)nc(Cc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C24H20Cl2N4O/c1-31-21-10-8-20(9-11-21)27-24-29-22(14-16-4-2-6-18(25)12-16)28-23(30-24)15-17-5-3-7-19(26)13-17/h2-13H,14-15H2,1H3,(H,27,28,29,30)
InChIKeyQVJTXMMXDFIPKW-UHFFFAOYSA-N
XLogP6.11
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.36
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-Chloro-2-ethoxy-phenyl)-N-(4-chloro-phenyl)-[1,3,5]triazine-2,4-diamine
CID 10110036
6-(5-Chloro-2-methoxy-phenyl)-N-(4-chloro-phenyl)-[1,3,5]triazine-2,4-diamine
CID 10269990
N-(4-amino-6-{[4-(4-methoxyphenyl)piperazino]methyl}-1,3,5-triazin-2-yl)-N-(3-chloro-4-methylphenyl)amine
CID 666419
2-(5-Chloro-2-methoxy-phenyl)-N-(4-chloro-phenyl)-pyrimidine-4,6-diamine
CID 44313704
6-[(4-benzylpiperidin-1-yl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1397715
4-chloro-6-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 164613880
4-[(4-chlorophenoxy)methyl]-6-imino-N-(p-tolyl)-1H-1,3,5-triazin-2-amine
CID 8357886
4,6-bis(4-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]pyrimidin-2-amine
CID 71459104
4-chloro-N,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-amine
CID 164617393
N-(4-chlorophenyl)-4-methyl-6-phenoxy-1,3,5-triazin-2-amine
CID 172434217
1-(4-((4-Chlorobenzyl)oxy)phenyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 9586370
4-N-(3-chloro-4-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 45277359

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine (CID 58090716) is 4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine is COc1ccc(Nc2nc(Cc3cccc(Cl)c3)nc(Cc3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is QVJTXMMXDFIPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O/c1-31-21-10-8-20(9-11-21)27-24-29-22(14-16-4-2-6-18(25)12-16)28-23(30-24)15-17-5-3-7-19(26)13-17/h2-13H,14-15H2,1H3,(H,27,28,29,30).
What are the key properties of 4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine?
4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 451.36 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 58090716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).