2-N,2-N-diethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine

C13H20N6S — CID 80801144

IUPAC2-N,2-N-diethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(NCCc2ccsc2)n1
InChIInChI=1S/C13H20N6S/c1-3-19(4-2)13-17-11(14)16-12(18-13)15-7-5-10-6-8-20-9-10/h6,8-9H,3-5,7H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyXRRMANLYBUHKPP-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.02
Rot. Bonds7

About 2-N,2-N-diethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N-diethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 80801144) has the molecular formula C13H20N6S and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID80801144
Molecular FormulaC13H20N6S
Molecular Weight292.41 g/mol
Exact Mass292.15
IUPAC Name2-N,2-N-diethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(NCCc2ccsc2)n1
InChIInChI=1S/C13H20N6S/c1-3-19(4-2)13-17-11(14)16-12(18-13)15-7-5-10-6-8-20-9-10/h6,8-9H,3-5,7H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyXRRMANLYBUHKPP-UHFFFAOYSA-N
XLogP2.02
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N,2-N-diethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80901070
6-N-ethyl-2-N,2-N-dimethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 80800490
2-N,2-N-dimethyl-4-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80828116
2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80765267
2-N,2-N-diethyl-4-N-[2-(furan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80804048
4-N-[2-(dimethylamino)ethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80769996
4-N-[3-(dimethylamino)propyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80778165
4-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 80797100
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80788682
N-[2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
CID 80788576
2-N,2-N-diethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 106433977
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylethanesulfonamide
CID 106343509

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine (CID 80801144) is 2-N,2-N-diethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(N)nc(NCCc2ccsc2)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is XRRMANLYBUHKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6S/c1-3-19(4-2)13-17-11(14)16-12(18-13)15-7-5-10-6-8-20-9-10/h6,8-9H,3-5,7H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 2-N,2-N-diethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-diethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 292.41 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80801144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).