4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine

C7H6F6N4S — CID 103309483

IUPAC4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C7H6F6N4S/c1-18-5-16-3(15-4(14)17-5)2(6(8,9)10)7(11,12)13/h2H,1H3,(H2,14,15,16,17)
InChIKeyQKAYJADXAITRTD-UHFFFAOYSA-N
MW292.21 g/mol
LogP2.38
Rot. Bonds2

About 4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine

4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 103309483) has the molecular formula C7H6F6N4S and a molecular weight of 292.21 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID103309483
Molecular FormulaC7H6F6N4S
Molecular Weight292.21 g/mol
Exact Mass292.02
IUPAC Name4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C7H6F6N4S/c1-18-5-16-3(15-4(14)17-5)2(6(8,9)10)7(11,12)13/h2H,1H3,(H2,14,15,16,17)
InChIKeyQKAYJADXAITRTD-UHFFFAOYSA-N
XLogP2.38
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-Cyclopropyl-6-(methylthio)-1,3,5-triazin-2-amine
CID 602660
4-(Methylsulfanyl)-6-(propan-2-yl)-1,3,5-triazin-2-amine
CID 2782086
4-(Methylsulfanyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 22244968
4-Ethyl-6-(methylsulfanyl)-1,3,5-triazin-2-amine
CID 66490758
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
6-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 140663823
6-(1,1,1-Trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 141432656
6-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 162483941
4-(Difluoromethyl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine
CID 83083901
4-Methylsulfanyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 83083995

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 103309483) is 4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine is CSc1nc(N)nc(C(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is QKAYJADXAITRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6N4S/c1-18-5-16-3(15-4(14)17-5)2(6(8,9)10)7(11,12)13/h2H,1H3,(H2,14,15,16,17).
What are the key properties of 4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 292.21 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 103309483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).