2-N,2-N-dimethyl-6-(2-methylsulfonylethylsulfanyl)-4-N-propyl-1,3,5-triazine-2,4-diamine

C11H21N5O2S2 — CID 80882836

IUPAC2-N,2-N-dimethyl-6-(2-methylsulfonylethylsulfanyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(SCCS(C)(=O)=O)nc(N(C)C)n1
InChIInChI=1S/C11H21N5O2S2/c1-5-6-12-9-13-10(16(2)3)15-11(14-9)19-7-8-20(4,17)18/h5-8H2,1-4H3,(H,12,13,14,15)
InChIKeyPGWKVTUDQULJFL-UHFFFAOYSA-N
MW319.46 g/mol
LogP0.90
Rot. Bonds8

About 2-N,2-N-dimethyl-6-(2-methylsulfonylethylsulfanyl)-4-N-propyl-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-(2-methylsulfonylethylsulfanyl)-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80882836) has the molecular formula C11H21N5O2S2 and a molecular weight of 319.46 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-(2-methylsulfonylethylsulfanyl)-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-(2-methylsulfonylethylsulfanyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80882836
Molecular FormulaC11H21N5O2S2
Molecular Weight319.46 g/mol
Exact Mass319.11
IUPAC Name2-N,2-N-dimethyl-6-(2-methylsulfonylethylsulfanyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(SCCS(C)(=O)=O)nc(N(C)C)n1
InChIInChI=1S/C11H21N5O2S2/c1-5-6-12-9-13-10(16(2)3)15-11(14-9)19-7-8-20(4,17)18/h5-8H2,1-4H3,(H,12,13,14,15)
InChIKeyPGWKVTUDQULJFL-UHFFFAOYSA-N
XLogP0.90
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-N,2-N-dimethyl-6-(2-methylsulfonylethylsulfanyl)-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

3-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890568
N-[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide
CID 80775196
6-butylsulfanyl-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80884317
2-N,2-N,4-N-trimethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80887563
4-N-(2,2-dimethylpropyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80797913
6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80892759
6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80869964
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80765149
5-chloro-4-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-2-amine
CID 80883328
6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80888160
2-N,2-N-dimethyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 90159200
2-N,2-N-dimethyl-4-N-(2-methylpropyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80770907

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-(2-methylsulfonylethylsulfanyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-(2-methylsulfonylethylsulfanyl)-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80882836) is 2-N,2-N-dimethyl-6-(2-methylsulfonylethylsulfanyl)-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-(2-methylsulfonylethylsulfanyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-(2-methylsulfonylethylsulfanyl)-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(SCCS(C)(=O)=O)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-(2-methylsulfonylethylsulfanyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is PGWKVTUDQULJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S2/c1-5-6-12-9-13-10(16(2)3)15-11(14-9)19-7-8-20(4,17)18/h5-8H2,1-4H3,(H,12,13,14,15).
What are the key properties of 2-N,2-N-dimethyl-6-(2-methylsulfonylethylsulfanyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-(2-methylsulfonylethylsulfanyl)-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 319.46 g/mol, XLogP of 0.90, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-(2-methylsulfonylethylsulfanyl)-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80882836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).