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

C21H26N6 — CID 27157979

IUPAC6-[[benzyl(ethyl)amino]methyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCc1ccccc1Nc1nc(N)nc(CN(CC)Cc2ccccc2)n1
InChIInChI=1S/C21H26N6/c1-3-17-12-8-9-13-18(17)23-21-25-19(24-20(22)26-21)15-27(4-2)14-16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3,(H3,22,23,24,25,26)
InChIKeyUOYOAEHOKDDYKL-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.78
Rot. Bonds8

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

6-[[benzyl(ethyl)amino]methyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 27157979) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is 6-[[benzyl(ethyl)amino]methyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[benzyl(ethyl)amino]methyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID27157979
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name6-[[benzyl(ethyl)amino]methyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCc1ccccc1Nc1nc(N)nc(CN(CC)Cc2ccccc2)n1
InChIInChI=1S/C21H26N6/c1-3-17-12-8-9-13-18(17)23-21-25-19(24-20(22)26-21)15-27(4-2)14-16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3,(H3,22,23,24,25,26)
InChIKeyUOYOAEHOKDDYKL-UHFFFAOYSA-N
XLogP3.78
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N,N-diethylacetamide
CID 55410697
2-N-(2-ethylphenyl)-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine
CID 4781340
6-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
CID 55542551
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
N-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-methylthiophene-2-sulfonamide
CID 18082640
6-[(1-benzylimidazol-2-yl)sulfanylmethyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
CID 16543267
6-(cyclopentylsulfanylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
CID 8763671
[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl cyclopropanecarboxylate
CID 7782044
[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 3,3-dimethylbutanoate
CID 7950853
2-N-(2-ethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762007
[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-methoxyphenyl)acetate
CID 8792735

Frequently Asked Questions

What is the IUPAC name of 6-[[benzyl(ethyl)amino]methyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[benzyl(ethyl)amino]methyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine (CID 27157979) is 6-[[benzyl(ethyl)amino]methyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[benzyl(ethyl)amino]methyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[benzyl(ethyl)amino]methyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine is CCc1ccccc1Nc1nc(N)nc(CN(CC)Cc2ccccc2)n1.
What is the InChIKey of 6-[[benzyl(ethyl)amino]methyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UOYOAEHOKDDYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c1-3-17-12-8-9-13-18(17)23-21-25-19(24-20(22)26-21)15-27(4-2)14-16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3,(H3,22,23,24,25,26).
What are the key properties of 6-[[benzyl(ethyl)amino]methyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine?
6-[[benzyl(ethyl)amino]methyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 362.48 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[benzyl(ethyl)amino]methyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 27157979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).