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

C18H22N6S — CID 25386698

IUPAC2-N-(2-ethylphenyl)-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,3,5-triazine-2,4-diamine
SMILESCCc1ccccc1Nc1nc(N)nc(CN[C@@H](C)c2cccs2)n1
InChIInChI=1S/C18H22N6S/c1-3-13-7-4-5-8-14(13)21-18-23-16(22-17(19)24-18)11-20-12(2)15-9-6-10-25-15/h4-10,12,20H,3,11H2,1-2H3,(H3,19,21,22,23,24)/t12-/m0/s1
InChIKeyKYKVZYJSZCKTQH-LBPRGKRZSA-N
MW354.48 g/mol
LogP3.67
Rot. Bonds7

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

2-N-(2-ethylphenyl)-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 25386698) has the molecular formula C18H22N6S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-N-(2-ethylphenyl)-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-ethylphenyl)-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID25386698
Molecular FormulaC18H22N6S
Molecular Weight354.48 g/mol
Exact Mass354.16
IUPAC Name2-N-(2-ethylphenyl)-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,3,5-triazine-2,4-diamine
SMILESCCc1ccccc1Nc1nc(N)nc(CN[C@@H](C)c2cccs2)n1
InChIInChI=1S/C18H22N6S/c1-3-13-7-4-5-8-14(13)21-18-23-16(22-17(19)24-18)11-20-12(2)15-9-6-10-25-15/h4-10,12,20H,3,11H2,1-2H3,(H3,19,21,22,23,24)/t12-/m0/s1
InChIKeyKYKVZYJSZCKTQH-LBPRGKRZSA-N
XLogP3.67
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-N-(2-ethylphenyl)-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(2-ethylphenyl)-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine
CID 4781340
N-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-methylthiophene-2-sulfonamide
CID 18082640
[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl (E)-3-thiophen-2-ylprop-2-enoate
CID 7953800
2-N-(2-ethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762007
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
6-[[benzyl(ethyl)amino]methyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
CID 27157979
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 3,3-dimethylbutanoate
CID 7950853
[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl cyclopropanecarboxylate
CID 7782044
2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 28683494
6-[(benzhydrylamino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 4825794
(1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine
CID 28683348

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethylphenyl)-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-ethylphenyl)-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,3,5-triazine-2,4-diamine (CID 25386698) is 2-N-(2-ethylphenyl)-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-ethylphenyl)-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-ethylphenyl)-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,3,5-triazine-2,4-diamine is CCc1ccccc1Nc1nc(N)nc(CN[C@@H](C)c2cccs2)n1.
What is the InChIKey of 2-N-(2-ethylphenyl)-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is KYKVZYJSZCKTQH-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N6S/c1-3-13-7-4-5-8-14(13)21-18-23-16(22-17(19)24-18)11-20-12(2)15-9-6-10-25-15/h4-10,12,20H,3,11H2,1-2H3,(H3,19,21,22,23,24)/t12-/m0/s1.
What are the key properties of 2-N-(2-ethylphenyl)-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,3,5-triazine-2,4-diamine?
2-N-(2-ethylphenyl)-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 354.48 g/mol, XLogP of 3.67, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethylphenyl)-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 25386698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).