6-N-(2-fluoroethyl)-4-methylsulfanylpyridine-2,6-diamine

C8H12FN3S — CID 86630931

IUPAC6-N-(2-fluoroethyl)-4-methylsulfanylpyridine-2,6-diamine
SMILESCSc1cc(N)nc(NCCF)c1
InChIInChI=1S/C8H12FN3S/c1-13-6-4-7(10)12-8(5-6)11-3-2-9/h4-5H,2-3H2,1H3,(H3,10,11,12)
InChIKeyXCRLXDXNGJSNGD-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.77
Rot. Bonds4

About 6-N-(2-fluoroethyl)-4-methylsulfanylpyridine-2,6-diamine

6-N-(2-fluoroethyl)-4-methylsulfanylpyridine-2,6-diamine (PubChem CID 86630931) has the molecular formula C8H12FN3S and a molecular weight of 201.27 g/mol. Its IUPAC name is 6-N-(2-fluoroethyl)-4-methylsulfanylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-fluoroethyl)-4-methylsulfanylpyridine-2,6-diamine
PubChem CID86630931
Molecular FormulaC8H12FN3S
Molecular Weight201.27 g/mol
Exact Mass201.07
IUPAC Name6-N-(2-fluoroethyl)-4-methylsulfanylpyridine-2,6-diamine
SMILESCSc1cc(N)nc(NCCF)c1
InChIInChI=1S/C8H12FN3S/c1-13-6-4-7(10)12-8(5-6)11-3-2-9/h4-5H,2-3H2,1H3,(H3,10,11,12)
InChIKeyXCRLXDXNGJSNGD-UHFFFAOYSA-N
XLogP1.77
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2-fluoroethyl)-4-methylsulfanylpyridine-2,6-diamine?
The IUPAC name of 6-N-(2-fluoroethyl)-4-methylsulfanylpyridine-2,6-diamine (CID 86630931) is 6-N-(2-fluoroethyl)-4-methylsulfanylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-fluoroethyl)-4-methylsulfanylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-fluoroethyl)-4-methylsulfanylpyridine-2,6-diamine is CSc1cc(N)nc(NCCF)c1.
What is the InChIKey of 6-N-(2-fluoroethyl)-4-methylsulfanylpyridine-2,6-diamine?
The InChIKey is XCRLXDXNGJSNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3S/c1-13-6-4-7(10)12-8(5-6)11-3-2-9/h4-5H,2-3H2,1H3,(H3,10,11,12).
What are the key properties of 6-N-(2-fluoroethyl)-4-methylsulfanylpyridine-2,6-diamine?
6-N-(2-fluoroethyl)-4-methylsulfanylpyridine-2,6-diamine has a molecular weight of 201.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-fluoroethyl)-4-methylsulfanylpyridine-2,6-diamine is sourced from PubChem (CID 86630931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).