4-tert-butyl-6-methylsulfanyl-1,3,5-triazin-2-amine

C8H14N4S — CID 2782087

IUPAC4-tert-butyl-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C8H14N4S/c1-8(2,3)5-10-6(9)12-7(11-5)13-4/h1-4H3,(H2,9,10,11,12)
InChIKeyYMAXBDGDQWDYKG-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.47
Rot. Bonds1

About 4-tert-butyl-6-methylsulfanyl-1,3,5-triazin-2-amine

4-tert-butyl-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 2782087) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-tert-butyl-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID2782087
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name4-tert-butyl-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C8H14N4S/c1-8(2,3)5-10-6(9)12-7(11-5)13-4/h1-4H3,(H2,9,10,11,12)
InChIKeyYMAXBDGDQWDYKG-UHFFFAOYSA-N
XLogP1.47
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Cyclopropyl-6-(methylthio)-1,3,5-triazin-2-amine
CID 602660
1,3,5-Triazin-2-amine, 4-methyl-6-(methylthio)-
CID 214051
4-(Methylsulfanyl)-6-(propan-2-yl)-1,3,5-triazin-2-amine
CID 2782086
1,3,5-Triazin-2-amine, 4-ethyl-N-methyl-6-(methylthio)-
CID 3044745
4-Ethyl-6-(methylsulfanyl)-1,3,5-triazin-2-amine
CID 66490758
1,3,5-Triazine-2,4-diamine, 6-(1,1-dimethylethyl)-
CID 147626
4-(2-Fluoropropan-2-yl)-6-(methylthio)-1,3,5-triazin-2-amine
CID 11275703
4-(1-Fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 15430911
2-Amino-4-methylthio-6-(1-fluoroethyl)-1,3,5-triazine
CID 22244965
4-(Ethylthio)-6-isopropyl-1,3,5-triazin-2-amine
CID 2782091
4-Methylsulfanyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 83083995
4-Methylsulfanyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 83084326

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-tert-butyl-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 2782087) is 4-tert-butyl-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-tert-butyl-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-tert-butyl-6-methylsulfanyl-1,3,5-triazin-2-amine is CSc1nc(N)nc(C(C)(C)C)n1.
What is the InChIKey of 4-tert-butyl-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is YMAXBDGDQWDYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-8(2,3)5-10-6(9)12-7(11-5)13-4/h1-4H3,(H2,9,10,11,12).
What are the key properties of 4-tert-butyl-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-tert-butyl-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 198.29 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 2782087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).