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

C13H20N6S — CID 80800490

IUPAC6-N-ethyl-2-N,2-N-dimethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCCc2ccsc2)nc(N(C)C)n1
InChIInChI=1S/C13H20N6S/c1-4-14-11-16-12(18-13(17-11)19(2)3)15-7-5-10-6-8-20-9-10/h6,8-9H,4-5,7H2,1-3H3,(H2,14,15,16,17,18)
InChIKeySHFVNLDICMNHJD-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.09
Rot. Bonds7

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

6-N-ethyl-2-N,2-N-dimethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 80800490) has the molecular formula C13H20N6S and a molecular weight of 292.41 g/mol. Its IUPAC name is 6-N-ethyl-2-N,2-N-dimethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-2-N,2-N-dimethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID80800490
Molecular FormulaC13H20N6S
Molecular Weight292.41 g/mol
Exact Mass292.15
IUPAC Name6-N-ethyl-2-N,2-N-dimethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCCc2ccsc2)nc(N(C)C)n1
InChIInChI=1S/C13H20N6S/c1-4-14-11-16-12(18-13(17-11)19(2)3)15-7-5-10-6-8-20-9-10/h6,8-9H,4-5,7H2,1-3H3,(H2,14,15,16,17,18)
InChIKeySHFVNLDICMNHJD-UHFFFAOYSA-N
XLogP2.09
TPSA65.97 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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-N,2-N-dimethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-2-N,2-N-dimethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine (CID 80800490) is 6-N-ethyl-2-N,2-N-dimethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-2-N,2-N-dimethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-2-N,2-N-dimethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine is CCNc1nc(NCCc2ccsc2)nc(N(C)C)n1.
What is the InChIKey of 6-N-ethyl-2-N,2-N-dimethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is SHFVNLDICMNHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6S/c1-4-14-11-16-12(18-13(17-11)19(2)3)15-7-5-10-6-8-20-9-10/h6,8-9H,4-5,7H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 6-N-ethyl-2-N,2-N-dimethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine?
6-N-ethyl-2-N,2-N-dimethyl-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 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-N,2-N-dimethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80800490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).