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

C27H28N4 — CID 58090680

IUPACN-(4-ethylphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
SMILESCCc1ccc(Nc2nc(Cc3cccc(C)c3)nc(Cc3cccc(C)c3)n2)cc1
InChIInChI=1S/C27H28N4/c1-4-21-11-13-24(14-12-21)28-27-30-25(17-22-9-5-7-19(2)15-22)29-26(31-27)18-23-10-6-8-20(3)16-23/h5-16H,4,17-18H2,1-3H3,(H,28,29,30,31)
InChIKeyQUDKKSIUPCBWRF-UHFFFAOYSA-N
MW408.55 g/mol
LogP5.98
Rot. Bonds7

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

N-(4-ethylphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine (PubChem CID 58090680) has the molecular formula C27H28N4 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
PubChem CID58090680
Molecular FormulaC27H28N4
Molecular Weight408.55 g/mol
Exact Mass408.23
IUPAC NameN-(4-ethylphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
SMILESCCc1ccc(Nc2nc(Cc3cccc(C)c3)nc(Cc3cccc(C)c3)n2)cc1
InChIInChI=1S/C27H28N4/c1-4-21-11-13-24(14-12-21)28-27-30-25(17-22-9-5-7-19(2)15-22)29-26(31-27)18-23-10-6-8-20(3)16-23/h5-16H,4,17-18H2,1-3H3,(H,28,29,30,31)
InChIKeyQUDKKSIUPCBWRF-UHFFFAOYSA-N
XLogP5.98
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-ethylphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
CID 58090749
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
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
3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]benzaldehyde
CID 58175836
ethane;bis(1-ethyl-3-methylbenzene)
CID 142878274
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
2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265488
6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 66299080
N-[[4,6-dimethyl-2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine
CID 62746002
1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105101719
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-ethylphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-ethylphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine (CID 58090680) is N-(4-ethylphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-ethylphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-ethylphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine is CCc1ccc(Nc2nc(Cc3cccc(C)c3)nc(Cc3cccc(C)c3)n2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is QUDKKSIUPCBWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4/c1-4-21-11-13-24(14-12-21)28-27-30-25(17-22-9-5-7-19(2)15-22)29-26(31-27)18-23-10-6-8-20(3)16-23/h5-16H,4,17-18H2,1-3H3,(H,28,29,30,31).
What are the key properties of N-(4-ethylphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine?
N-(4-ethylphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 408.55 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 58090680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).