2-N,4-N,4-N,6-N-tetramethyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine

C10H20N6S — CID 112667746

IUPAC2-N,4-N,4-N,6-N-tetramethyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(N(C)C)nc(N(C)CCSC)n1
InChIInChI=1S/C10H20N6S/c1-11-8-12-9(15(2)3)14-10(13-8)16(4)6-7-17-5/h6-7H2,1-5H3,(H,11,12,13,14)
InChIKeyWCYLHQZWGIVQIG-UHFFFAOYSA-N
MW256.38 g/mol
LogP0.78
Rot. Bonds6

About 2-N,4-N,4-N,6-N-tetramethyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N,4-N,6-N-tetramethyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 112667746) has the molecular formula C10H20N6S and a molecular weight of 256.38 g/mol. Its IUPAC name is 2-N,4-N,4-N,6-N-tetramethyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,4-N,6-N-tetramethyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID112667746
Molecular FormulaC10H20N6S
Molecular Weight256.38 g/mol
Exact Mass256.15
IUPAC Name2-N,4-N,4-N,6-N-tetramethyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(N(C)C)nc(N(C)CCSC)n1
InChIInChI=1S/C10H20N6S/c1-11-8-12-9(15(2)3)14-10(13-8)16(4)6-7-17-5/h6-7H2,1-5H3,(H,11,12,13,14)
InChIKeyWCYLHQZWGIVQIG-UHFFFAOYSA-N
XLogP0.78
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.38
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N,6-N-tetramethyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,4-N,6-N-tetramethyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine (CID 112667746) is 2-N,4-N,4-N,6-N-tetramethyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,4-N,6-N-tetramethyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,4-N,6-N-tetramethyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine is CNc1nc(N(C)C)nc(N(C)CCSC)n1.
What is the InChIKey of 2-N,4-N,4-N,6-N-tetramethyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is WCYLHQZWGIVQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6S/c1-11-8-12-9(15(2)3)14-10(13-8)16(4)6-7-17-5/h6-7H2,1-5H3,(H,11,12,13,14).
What are the key properties of 2-N,4-N,4-N,6-N-tetramethyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,4-N,6-N-tetramethyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 256.38 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N,6-N-tetramethyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 112667746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).