2-N-(2-ethylphenyl)-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine

C18H22N6S — CID 4781340

IUPAC2-N-(2-ethylphenyl)-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine
SMILESCCc1ccccc1Nc1nc(N)nc(CN(C)Cc2cccs2)n1
InChIInChI=1S/C18H22N6S/c1-3-13-7-4-5-9-15(13)20-18-22-16(21-17(19)23-18)12-24(2)11-14-8-6-10-25-14/h4-10H,3,11-12H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyLCUQWOXBRFGYBP-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.45
Rot. Bonds7

About 2-N-(2-ethylphenyl)-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine

2-N-(2-ethylphenyl)-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 4781340) has the molecular formula C18H22N6S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-N-(2-ethylphenyl)-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-ethylphenyl)-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID4781340
Molecular FormulaC18H22N6S
Molecular Weight354.48 g/mol
Exact Mass354.16
IUPAC Name2-N-(2-ethylphenyl)-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine
SMILESCCc1ccccc1Nc1nc(N)nc(CN(C)Cc2cccs2)n1
InChIInChI=1S/C18H22N6S/c1-3-13-7-4-5-9-15(13)20-18-22-16(21-17(19)23-18)12-24(2)11-14-8-6-10-25-14/h4-10H,3,11-12H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyLCUQWOXBRFGYBP-UHFFFAOYSA-N
XLogP3.45
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(2-ethylphenyl)-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine 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-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-methylthiophene-2-sulfonamide
CID 18082640
6-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
CID 55542551
2-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N,N-diethylacetamide
CID 55410697
2-N-(2-ethylphenyl)-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,3,5-triazine-2,4-diamine
CID 25386698
6-[[benzyl(ethyl)amino]methyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
CID 27157979
[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl (E)-3-thiophen-2-ylprop-2-enoate
CID 7953800
6-[[(4-ethylphenyl)methyl-methylamino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 26300445
4-acetyl-N-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-methylbenzenesulfonamide
CID 18269725
6-[[1-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-1-ium-1-yl]methyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
CID 25375679
2-N-(2-methylphenyl)-6-[[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine
CID 17415919
6-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 4793369
6-(cyclopentylsulfanylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
CID 8763671

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethylphenyl)-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-ethylphenyl)-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine (CID 4781340) is 2-N-(2-ethylphenyl)-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-ethylphenyl)-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-ethylphenyl)-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine is CCc1ccccc1Nc1nc(N)nc(CN(C)Cc2cccs2)n1.
What is the InChIKey of 2-N-(2-ethylphenyl)-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is LCUQWOXBRFGYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6S/c1-3-13-7-4-5-9-15(13)20-18-22-16(21-17(19)23-18)12-24(2)11-14-8-6-10-25-14/h4-10H,3,11-12H2,1-2H3,(H3,19,20,21,22,23).
What are the key properties of 2-N-(2-ethylphenyl)-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine?
2-N-(2-ethylphenyl)-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 354.48 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethylphenyl)-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 4781340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).