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

C11H22N6S — CID 112667625

IUPAC2-N,2-N-diethyl-4-N-methyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(N(C)CCSC)n1
InChIInChI=1S/C11H22N6S/c1-5-17(6-2)11-14-9(12)13-10(15-11)16(3)7-8-18-4/h5-8H2,1-4H3,(H2,12,13,14,15)
InChIKeyLJKWXWJEMXXFFM-UHFFFAOYSA-N
MW270.41 g/mol
LogP1.10
Rot. Bonds7

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

2-N,2-N-diethyl-4-N-methyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 112667625) has the molecular formula C11H22N6S and a molecular weight of 270.41 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-methyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-methyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID112667625
Molecular FormulaC11H22N6S
Molecular Weight270.41 g/mol
Exact Mass270.16
IUPAC Name2-N,2-N-diethyl-4-N-methyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(N(C)CCSC)n1
InChIInChI=1S/C11H22N6S/c1-5-17(6-2)11-14-9(12)13-10(15-11)16(3)7-8-18-4/h5-8H2,1-4H3,(H2,12,13,14,15)
InChIKeyLJKWXWJEMXXFFM-UHFFFAOYSA-N
XLogP1.10
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-N,2-N,4-N-triethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80774543
4-N-methyl-4-N-(2-methylsulfanylethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 112667710
2-N-[2-(dimethylamino)ethyl]-4-N,4-N-diethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80795919
4-N-methyl-4-N-(2-methylsulfanylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 112667724
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]-N,N-dimethylacetamide
CID 80780070
4,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)-1,3,5-triazin-2-amine
CID 112663047
2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80833994
2-N,2-N-diethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80888494
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]ethanol
CID 80791325
2-N,4-N,4-N,6-N-tetramethyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine
CID 112667746
2-N-[2-[[4-chloro-6-[2-[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]ethyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 89059466
4-N-butyl-2-N,2-N-diethyl-6-hydrazinyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80916617

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-methyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-methyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine (CID 112667625) is 2-N,2-N-diethyl-4-N-methyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-methyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-methyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(N)nc(N(C)CCSC)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-methyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is LJKWXWJEMXXFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6S/c1-5-17(6-2)11-14-9(12)13-10(15-11)16(3)7-8-18-4/h5-8H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 2-N,2-N-diethyl-4-N-methyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-diethyl-4-N-methyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 270.41 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N-methyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 112667625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).