2-N,2-N-dimethyl-6-(quinolin-8-ylmethylsulfanylmethyl)-1,3,5-triazine-2,4-diamine

C16H18N6S — CID 41286541

IUPAC2-N,2-N-dimethyl-6-(quinolin-8-ylmethylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSCc2cccc3cccnc23)n1
InChIInChI=1S/C16H18N6S/c1-22(2)16-20-13(19-15(17)21-16)10-23-9-12-6-3-5-11-7-4-8-18-14(11)12/h3-8H,9-10H2,1-2H3,(H2,17,19,20,21)
InChIKeyNXMITGYNHCEOMJ-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.50
Rot. Bonds5

About 2-N,2-N-dimethyl-6-(quinolin-8-ylmethylsulfanylmethyl)-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-(quinolin-8-ylmethylsulfanylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 41286541) has the molecular formula C16H18N6S and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-(quinolin-8-ylmethylsulfanylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-(quinolin-8-ylmethylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID41286541
Molecular FormulaC16H18N6S
Molecular Weight326.43 g/mol
Exact Mass326.13
IUPAC Name2-N,2-N-dimethyl-6-(quinolin-8-ylmethylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSCc2cccc3cccnc23)n1
InChIInChI=1S/C16H18N6S/c1-22(2)16-20-13(19-15(17)21-16)10-23-9-12-6-3-5-11-7-4-8-18-14(11)12/h3-8H,9-10H2,1-2H3,(H2,17,19,20,21)
InChIKeyNXMITGYNHCEOMJ-UHFFFAOYSA-N
XLogP2.50
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-N,2-N-dimethyl-6-(quinolin-8-ylmethylsulfanylmethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N,2-N-dimethyl-6-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 17406340
1-(quinolin-8-ylmethylsulfanyl)butan-2-amine
CID 66227986
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]propan-1-ol
CID 66114761
2-N,2-N-dimethyl-6-[[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 56789212
6-[(2-methoxyphenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 47449133
6-(2-aminobutylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 66227987
2-N,2-N-dimethyl-6-[[methyl-[phenyl(pyridin-2-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine
CID 71975143
6-[(2-methoxyphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 17409436
6-(azetidin-3-ylmethylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 66290922
quinolin-8-ylmethanamine;hydrochloride
CID 50988699
N,2-dimethyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 121450481
3-chloro-2-(quinolin-8-ylmethylsulfanyl)aniline
CID 43304886

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-(quinolin-8-ylmethylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-(quinolin-8-ylmethylsulfanylmethyl)-1,3,5-triazine-2,4-diamine (CID 41286541) is 2-N,2-N-dimethyl-6-(quinolin-8-ylmethylsulfanylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-(quinolin-8-ylmethylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-(quinolin-8-ylmethylsulfanylmethyl)-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(CSCc2cccc3cccnc23)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-(quinolin-8-ylmethylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NXMITGYNHCEOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6S/c1-22(2)16-20-13(19-15(17)21-16)10-23-9-12-6-3-5-11-7-4-8-18-14(11)12/h3-8H,9-10H2,1-2H3,(H2,17,19,20,21).
What are the key properties of 2-N,2-N-dimethyl-6-(quinolin-8-ylmethylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-(quinolin-8-ylmethylsulfanylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 326.43 g/mol, XLogP of 2.50, 5 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-(quinolin-8-ylmethylsulfanylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 41286541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).