2-N,2-N-dimethyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine

C11H14N6S — CID 1253709

IUPAC2-N,2-N-dimethyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSc2ccccn2)n1
InChIInChI=1S/C11H14N6S/c1-17(2)11-15-8(14-10(12)16-11)7-18-9-5-3-4-6-13-9/h3-6H,7H2,1-2H3,(H2,12,14,15,16)
InChIKeyWEPXQGFDQWWODJ-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.21
Rot. Bonds4

About 2-N,2-N-dimethyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 1253709) has the molecular formula C11H14N6S and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID1253709
Molecular FormulaC11H14N6S
Molecular Weight262.34 g/mol
Exact Mass262.10
IUPAC Name2-N,2-N-dimethyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSc2ccccn2)n1
InChIInChI=1S/C11H14N6S/c1-17(2)11-15-8(14-10(12)16-11)7-18-9-5-3-4-6-13-9/h3-6H,7H2,1-2H3,(H2,12,14,15,16)
InChIKeyWEPXQGFDQWWODJ-UHFFFAOYSA-N
XLogP1.21
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine (CID 1253709) is 2-N,2-N-dimethyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(CSc2ccccn2)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is WEPXQGFDQWWODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6S/c1-17(2)11-15-8(14-10(12)16-11)7-18-9-5-3-4-6-13-9/h3-6H,7H2,1-2H3,(H2,12,14,15,16).
What are the key properties of 2-N,2-N-dimethyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 262.34 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-(pyridin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1253709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).