4,6-dimethyl-N-(2-propan-2-ylsulfonylethyl)-1,3,5-triazin-2-amine

C10H18N4O2S — CID 21303872

IUPAC4,6-dimethyl-N-(2-propan-2-ylsulfonylethyl)-1,3,5-triazin-2-amine
SMILESCc1nc(C)nc(NCCS(=O)(=O)C(C)C)n1
InChIInChI=1S/C10H18N4O2S/c1-7(2)17(15,16)6-5-11-10-13-8(3)12-9(4)14-10/h7H,5-6H2,1-4H3,(H,11,12,13,14)
InChIKeyKULZQQJOIVDYIF-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.72
Rot. Bonds5

About 4,6-dimethyl-N-(2-propan-2-ylsulfonylethyl)-1,3,5-triazin-2-amine

4,6-dimethyl-N-(2-propan-2-ylsulfonylethyl)-1,3,5-triazin-2-amine (PubChem CID 21303872) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 4,6-dimethyl-N-(2-propan-2-ylsulfonylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-(2-propan-2-ylsulfonylethyl)-1,3,5-triazin-2-amine
PubChem CID21303872
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name4,6-dimethyl-N-(2-propan-2-ylsulfonylethyl)-1,3,5-triazin-2-amine
SMILESCc1nc(C)nc(NCCS(=O)(=O)C(C)C)n1
InChIInChI=1S/C10H18N4O2S/c1-7(2)17(15,16)6-5-11-10-13-8(3)12-9(4)14-10/h7H,5-6H2,1-4H3,(H,11,12,13,14)
InChIKeyKULZQQJOIVDYIF-UHFFFAOYSA-N
XLogP0.72
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-Fluoro-6-methyl-1,3,5-triazin-2-yl)amino]ethanesulfonic acid
CID 18729015
2-[2-[(4-Fluoro-6-methyl-1,3,5-triazin-2-yl)amino]ethylsulfonyl]ethyl methyl sulfate
CID 20792610
2-[3-[(4-Fluoro-6-methyl-1,3,5-triazin-2-yl)amino]propylsulfonyl]ethyl methyl sulfate
CID 20792613
N-(2-ethenylsulfonylethyl)-4-fluoro-6-methyl-1,3,5-triazin-2-amine
CID 21303869
4-fluoro-N,6-dimethyl-N-(2-propylsulfonylethyl)-1,3,5-triazin-2-amine
CID 57978925
4-fluoro-6-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine
CID 142136534
2-[2-[(4-Chloro-6-methyl-1,3,5-triazin-2-yl)amino]ethylsulfonyl]ethyl methyl sulfate
CID 20792599
2-[3-[(4-Chloro-6-methyl-1,3,5-triazin-2-yl)amino]propylsulfonyl]ethyl methyl sulfate
CID 20792602
2-N-[2-(2-methoxyperoxysulfanyloxyethylsulfonyl)ethyl]-2-N,4-N,6-trimethyl-1,3,5-triazine-2,4-diamine
CID 20792631
2-[[4-Methyl-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid
CID 21052257
N-(2-ethenylsulfonylethyl)-4,6-dimethyl-1,3,5-triazin-2-amine
CID 21303860
2-[(4-Chloro-6-methyl-1,3,5-triazin-2-yl)amino]ethanesulfonic acid
CID 54190097

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(2-propan-2-ylsulfonylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethyl-N-(2-propan-2-ylsulfonylethyl)-1,3,5-triazin-2-amine (CID 21303872) is 4,6-dimethyl-N-(2-propan-2-ylsulfonylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-(2-propan-2-ylsulfonylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-(2-propan-2-ylsulfonylethyl)-1,3,5-triazin-2-amine is Cc1nc(C)nc(NCCS(=O)(=O)C(C)C)n1.
What is the InChIKey of 4,6-dimethyl-N-(2-propan-2-ylsulfonylethyl)-1,3,5-triazin-2-amine?
The InChIKey is KULZQQJOIVDYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-7(2)17(15,16)6-5-11-10-13-8(3)12-9(4)14-10/h7H,5-6H2,1-4H3,(H,11,12,13,14).
What are the key properties of 4,6-dimethyl-N-(2-propan-2-ylsulfonylethyl)-1,3,5-triazin-2-amine?
4,6-dimethyl-N-(2-propan-2-ylsulfonylethyl)-1,3,5-triazin-2-amine has a molecular weight of 258.35 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(2-propan-2-ylsulfonylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 21303872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).