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

C26H26N4O — CID 58090657

IUPACN-(4-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(Cc3cccc(C)c3)nc(Cc3cccc(C)c3)n2)cc1
InChIInChI=1S/C26H26N4O/c1-18-6-4-8-20(14-18)16-24-28-25(17-21-9-5-7-19(2)15-21)30-26(29-24)27-22-10-12-23(31-3)13-11-22/h4-15H,16-17H2,1-3H3,(H,27,28,29,30)
InChIKeyCIIOYRKZECLFGO-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.42
Rot. Bonds7

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

N-(4-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine (PubChem CID 58090657) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
PubChem CID58090657
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC NameN-(4-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(Cc3cccc(C)c3)nc(Cc3cccc(C)c3)n2)cc1
InChIInChI=1S/C26H26N4O/c1-18-6-4-8-20(14-18)16-24-28-25(17-21-9-5-7-19(2)15-21)30-26(29-24)27-22-10-12-23(31-3)13-11-22/h4-15H,16-17H2,1-3H3,(H,27,28,29,30)
InChIKeyCIIOYRKZECLFGO-UHFFFAOYSA-N
XLogP5.42
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
N-(4-methoxyphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 944935
6-[(4-benzyl-1-piperidinyl)methyl]-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1382129
[1,3,5]Triazine-2,4-diamine, 6-chloro-N-(4-methoxyphenyl)-N'-(3-trifluoromethylphenyl)-
CID 3620709
N*2*-(4-Methoxy-phenyl)-N*4*-phenyl-quinazoline-2,4-diamine
CID 44271506
N2-phenyl-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine
CID 86574122
6-(4-methoxyphenyl)-4-N-methyl-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 164613485
6-(4-methoxyphenyl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 164628688
6-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 665945
4-(3,4-dihydroquinolin-1(2H)-yl)-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3,5-triazin-2-amine
CID 666108
6-[(4-benzylpiperazin-1-yl)methyl]-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 667344
6-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1090229

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine (CID 58090657) is N-(4-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine is COc1ccc(Nc2nc(Cc3cccc(C)c3)nc(Cc3cccc(C)c3)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is CIIOYRKZECLFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-18-6-4-8-20(14-18)16-24-28-25(17-21-9-5-7-19(2)15-21)30-26(29-24)27-22-10-12-23(31-3)13-11-22/h4-15H,16-17H2,1-3H3,(H,27,28,29,30).
What are the key properties of N-(4-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine?
N-(4-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 410.52 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 58090657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).