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

C6H9FN4S — CID 22244965

IUPAC4-(1-fluoroethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C(C)F)n1
InChIInChI=1S/C6H9FN4S/c1-3(7)4-9-5(8)11-6(10-4)12-2/h3H,1-2H3,(H2,8,9,10,11)
InChIKeyRHLVGNFSTAXUSV-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.21
Rot. Bonds2

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

4-(1-fluoroethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 22244965) has the molecular formula C6H9FN4S and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-(1-fluoroethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1-fluoroethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID22244965
Molecular FormulaC6H9FN4S
Molecular Weight188.23 g/mol
Exact Mass188.05
IUPAC Name4-(1-fluoroethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C(C)F)n1
InChIInChI=1S/C6H9FN4S/c1-3(7)4-9-5(8)11-6(10-4)12-2/h3H,1-2H3,(H2,8,9,10,11)
InChIKeyRHLVGNFSTAXUSV-UHFFFAOYSA-N
XLogP1.21
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.21
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-(Ethylsulfanyl)-6-Methyl-1,3,5-Triazin-2-Amine
CID 2726596
4-(Methylsulfanyl)-6-(propan-2-yl)-1,3,5-triazin-2-amine
CID 2782086
N,4-Dimethyl-6-(methylthio)-1,3,5-triazin-2-amine
CID 3044742
1,3,5-Triazin-2-amine, 4-ethyl-N-methyl-6-(methylthio)-
CID 3044745
6-(1-Fluoroethyl)-1,3,5-triazine-2,4-diamine
CID 101880615
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
6a[(1R)a1aFluoroethyl]a1,3,5atriazinea2,4adiamine
CID 101884192

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1-fluoroethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 22244965) is 4-(1-fluoroethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1-fluoroethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1-fluoroethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is CSc1nc(N)nc(C(C)F)n1.
What is the InChIKey of 4-(1-fluoroethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is RHLVGNFSTAXUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4S/c1-3(7)4-9-5(8)11-6(10-4)12-2/h3H,1-2H3,(H2,8,9,10,11).
What are the key properties of 4-(1-fluoroethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(1-fluoroethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 188.23 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 22244965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).