3,5-difluoro-2-N-methyl-6-N-(2-methylsulfanylcyclopentyl)pyridine-2,6-diamine

C12H17F2N3S — CID 114122146

IUPAC3,5-difluoro-2-N-methyl-6-N-(2-methylsulfanylcyclopentyl)pyridine-2,6-diamine
SMILESCNc1nc(NC2CCCC2SC)c(F)cc1F
InChIInChI=1S/C12H17F2N3S/c1-15-11-7(13)6-8(14)12(17-11)16-9-4-3-5-10(9)18-2/h6,9-10H,3-5H2,1-2H3,(H2,15,16,17)
InChIKeyKPVJKRQIBPYUIB-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.10
Rot. Bonds4

About 3,5-difluoro-2-N-methyl-6-N-(2-methylsulfanylcyclopentyl)pyridine-2,6-diamine

3,5-difluoro-2-N-methyl-6-N-(2-methylsulfanylcyclopentyl)pyridine-2,6-diamine (PubChem CID 114122146) has the molecular formula C12H17F2N3S and a molecular weight of 273.35 g/mol. Its IUPAC name is 3,5-difluoro-2-N-methyl-6-N-(2-methylsulfanylcyclopentyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-difluoro-2-N-methyl-6-N-(2-methylsulfanylcyclopentyl)pyridine-2,6-diamine
PubChem CID114122146
Molecular FormulaC12H17F2N3S
Molecular Weight273.35 g/mol
Exact Mass273.11
IUPAC Name3,5-difluoro-2-N-methyl-6-N-(2-methylsulfanylcyclopentyl)pyridine-2,6-diamine
SMILESCNc1nc(NC2CCCC2SC)c(F)cc1F
InChIInChI=1S/C12H17F2N3S/c1-15-11-7(13)6-8(14)12(17-11)16-9-4-3-5-10(9)18-2/h6,9-10H,3-5H2,1-2H3,(H2,15,16,17)
InChIKeyKPVJKRQIBPYUIB-UHFFFAOYSA-N
XLogP3.10
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-N-methyl-6-N-(2-methylsulfanylcyclopentyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-difluoro-2-N-methyl-6-N-(2-methylsulfanylcyclopentyl)pyridine-2,6-diamine (CID 114122146) is 3,5-difluoro-2-N-methyl-6-N-(2-methylsulfanylcyclopentyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-difluoro-2-N-methyl-6-N-(2-methylsulfanylcyclopentyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-difluoro-2-N-methyl-6-N-(2-methylsulfanylcyclopentyl)pyridine-2,6-diamine is CNc1nc(NC2CCCC2SC)c(F)cc1F.
What is the InChIKey of 3,5-difluoro-2-N-methyl-6-N-(2-methylsulfanylcyclopentyl)pyridine-2,6-diamine?
The InChIKey is KPVJKRQIBPYUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3S/c1-15-11-7(13)6-8(14)12(17-11)16-9-4-3-5-10(9)18-2/h6,9-10H,3-5H2,1-2H3,(H2,15,16,17).
What are the key properties of 3,5-difluoro-2-N-methyl-6-N-(2-methylsulfanylcyclopentyl)pyridine-2,6-diamine?
3,5-difluoro-2-N-methyl-6-N-(2-methylsulfanylcyclopentyl)pyridine-2,6-diamine has a molecular weight of 273.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-N-methyl-6-N-(2-methylsulfanylcyclopentyl)pyridine-2,6-diamine is sourced from PubChem (CID 114122146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).