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

C25H23BrN4 — CID 58090749

IUPACN-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
SMILESCc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3ccc(Br)cc3)n2)c1
InChIInChI=1S/C25H23BrN4/c1-17-5-3-7-19(13-17)15-23-28-24(16-20-8-4-6-18(2)14-20)30-25(29-23)27-22-11-9-21(26)10-12-22/h3-14H,15-16H2,1-2H3,(H,27,28,29,30)
InChIKeyXEALAJYMZURRMW-UHFFFAOYSA-N
MW459.39 g/mol
LogP6.18
Rot. Bonds6

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

N-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine (PubChem CID 58090749) has the molecular formula C25H23BrN4 and a molecular weight of 459.39 g/mol. Its IUPAC name is N-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
PubChem CID58090749
Molecular FormulaC25H23BrN4
Molecular Weight459.39 g/mol
Exact Mass458.11
IUPAC NameN-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
SMILESCc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3ccc(Br)cc3)n2)c1
InChIInChI=1S/C25H23BrN4/c1-17-5-3-7-19(13-17)15-23-28-24(16-20-8-4-6-18(2)14-20)30-25(29-23)27-22-11-9-21(26)10-12-22/h3-14H,15-16H2,1-2H3,(H,27,28,29,30)
InChIKeyXEALAJYMZURRMW-UHFFFAOYSA-N
XLogP6.18
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.39
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
CID 58090680
[3-[[4-(4-bromoanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]methanol
CID 71163222
2-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 71095114
4,6-bis[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 123556531
1-bromo-4-[(3-methylphenyl)methyl]benzene
CID 67156138
6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;6-[(4-methylphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;2-N-(4-methylphenyl)-6-[(4-methylphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine;2-N,4-N,6-N-tris(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 159663695
2-N-(4-bromophenyl)-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112901881
3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]benzaldehyde
CID 58175836
5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine
CID 66306756
4,6-dibenzyl-N-(2,3-dimethylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2,6-dimethylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2-methylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine;N-(4-methoxyphenyl)-4,6-bis[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine
CID 161217838
6-[(3-bromophenyl)methylsulfanyl]-2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 21371631
3-[[4-[3-[[4,6-bis(3-hydroxyanilino)-1,3,5-triazin-2-yl]methyl]anilino]-6-(3-hydroxyanilino)-1,3,5-triazin-2-yl]methyl]phenol
CID 159987030

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine (CID 58090749) is N-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine is Cc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3ccc(Br)cc3)n2)c1.
What is the InChIKey of N-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is XEALAJYMZURRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrN4/c1-17-5-3-7-19(13-17)15-23-28-24(16-20-8-4-6-18(2)14-20)30-25(29-23)27-22-11-9-21(26)10-12-22/h3-14H,15-16H2,1-2H3,(H,27,28,29,30).
What are the key properties of N-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine?
N-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 459.39 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 58090749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).