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

C9H16N4S — CID 63869154

IUPAC4-tert-butyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
SMILESCSCc1nc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C9H16N4S/c1-9(2,3)7-11-6(5-14-4)12-8(10)13-7/h5H2,1-4H3,(H2,10,11,12,13)
InChIKeyWIEGFAYUXLJUMR-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.61
Rot. Bonds2

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

4-tert-butyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine (PubChem CID 63869154) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 4-tert-butyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
PubChem CID63869154
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name4-tert-butyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
SMILESCSCc1nc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C9H16N4S/c1-9(2,3)7-11-6(5-14-4)12-8(10)13-7/h5H2,1-4H3,(H2,10,11,12,13)
InChIKeyWIEGFAYUXLJUMR-UHFFFAOYSA-N
XLogP1.61
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-tert-butyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine (CID 63869154) is 4-tert-butyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-tert-butyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-tert-butyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine is CSCc1nc(N)nc(C(C)(C)C)n1.
What is the InChIKey of 4-tert-butyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is WIEGFAYUXLJUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-9(2,3)7-11-6(5-14-4)12-8(10)13-7/h5H2,1-4H3,(H2,10,11,12,13).
What are the key properties of 4-tert-butyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine?
4-tert-butyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 212.32 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63869154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).