4-tert-butyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine

C9H16N4O2S — CID 63868882

IUPAC4-tert-butyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(CS(C)(=O)=O)n1
InChIInChI=1S/C9H16N4O2S/c1-9(2,3)7-11-6(5-16(4,14)15)12-8(10)13-7/h5H2,1-4H3,(H2,10,11,12,13)
InChIKeyQLPCYBPTERAYHK-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.30
Rot. Bonds2

About 4-tert-butyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine

4-tert-butyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine (PubChem CID 63868882) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-tert-butyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
PubChem CID63868882
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name4-tert-butyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(CS(C)(=O)=O)n1
InChIInChI=1S/C9H16N4O2S/c1-9(2,3)7-11-6(5-16(4,14)15)12-8(10)13-7/h5H2,1-4H3,(H2,10,11,12,13)
InChIKeyQLPCYBPTERAYHK-UHFFFAOYSA-N
XLogP0.30
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-dimethyl-N-(2-propan-2-ylsulfonylethyl)-1,3,5-triazin-2-amine
CID 21303872
6-[(Methylsulfonyl)methyl]-1,3,5-triazine-2,4-diamine
CID 21815927
4-(Methylsulfonylmethyl)-6-propyl-1,3,5-triazin-2-amine
CID 63866977
4-Cyclopentyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
CID 63867314
4-(Methylsulfonylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 63867607
4-(Methylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 63867899
4-Methyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
CID 63868021
4-Cyclopropyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
CID 63868194
4-Ethyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
CID 63868988
4-Tert-butyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 63869154
4-(Ethylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 65129731
4-Tert-butyl-6-(ethylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 65129789

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-tert-butyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine (CID 63868882) is 4-tert-butyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-tert-butyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-tert-butyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine is CC(C)(C)c1nc(N)nc(CS(C)(=O)=O)n1.
What is the InChIKey of 4-tert-butyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is QLPCYBPTERAYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-9(2,3)7-11-6(5-16(4,14)15)12-8(10)13-7/h5H2,1-4H3,(H2,10,11,12,13).
What are the key properties of 4-tert-butyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine?
4-tert-butyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 244.32 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).