3,5-difluoro-N-methyl-6-(2-methyloxolan-3-yl)sulfanylpyridin-2-amine

C11H14F2N2OS — CID 114073941

IUPAC3,5-difluoro-N-methyl-6-(2-methyloxolan-3-yl)sulfanylpyridin-2-amine
SMILESCNc1nc(SC2CCOC2C)c(F)cc1F
InChIInChI=1S/C11H14F2N2OS/c1-6-9(3-4-16-6)17-11-8(13)5-7(12)10(14-2)15-11/h5-6,9H,3-4H2,1-2H3,(H,14,15)
InChIKeyDFTQLBRVCRRIJW-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.67
Rot. Bonds3

About 3,5-difluoro-N-methyl-6-(2-methyloxolan-3-yl)sulfanylpyridin-2-amine

3,5-difluoro-N-methyl-6-(2-methyloxolan-3-yl)sulfanylpyridin-2-amine (PubChem CID 114073941) has the molecular formula C11H14F2N2OS and a molecular weight of 260.31 g/mol. Its IUPAC name is 3,5-difluoro-N-methyl-6-(2-methyloxolan-3-yl)sulfanylpyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-N-methyl-6-(2-methyloxolan-3-yl)sulfanylpyridin-2-amine
PubChem CID114073941
Molecular FormulaC11H14F2N2OS
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name3,5-difluoro-N-methyl-6-(2-methyloxolan-3-yl)sulfanylpyridin-2-amine
SMILESCNc1nc(SC2CCOC2C)c(F)cc1F
InChIInChI=1S/C11H14F2N2OS/c1-6-9(3-4-16-6)17-11-8(13)5-7(12)10(14-2)15-11/h5-6,9H,3-4H2,1-2H3,(H,14,15)
InChIKeyDFTQLBRVCRRIJW-UHFFFAOYSA-N
XLogP2.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-methyl-4-(2-methyloxolan-3-yl)sulfanylpyrimidin-2-amine
CID 107765044
2-cyclopropyl-N,5-dimethyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine
CID 107765069
5-ethyl-N-methyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine
CID 107765189
2,3,5-trichloro-6-(2-methyloxolan-3-yl)sulfanylpyridine
CID 107750991
5-fluoro-4-methyl-2-(2-methyloxolan-3-yl)sulfanylaniline
CID 107747628
[4,6-dimethyl-2-(2-methyloxolan-3-yl)sulfanyl-3-pyridinyl]methanamine
CID 107751923
3,5-difluoro-2-N-methyl-6-N-(2-methylsulfanylcyclopentyl)pyridine-2,6-diamine
CID 114122146
4-chloro-2-ethyl-5-methyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidine
CID 107751016
2-methyl-N-(2,3,5,6-tetrafluorophenyl)oxolan-3-amine
CID 107643833
3,5-difluoro-6-(2-fluorophenyl)sulfanyl-N-methylpyridin-2-amine
CID 114073809
6-(4-chlorophenyl)sulfanyl-3,5-difluoro-N-methylpyridin-2-amine
CID 114073788
[6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-yl]hydrazine
CID 107766154

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-methyl-6-(2-methyloxolan-3-yl)sulfanylpyridin-2-amine?
The IUPAC name of 3,5-difluoro-N-methyl-6-(2-methyloxolan-3-yl)sulfanylpyridin-2-amine (CID 114073941) is 3,5-difluoro-N-methyl-6-(2-methyloxolan-3-yl)sulfanylpyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-N-methyl-6-(2-methyloxolan-3-yl)sulfanylpyridin-2-amine?
The canonical SMILES for 3,5-difluoro-N-methyl-6-(2-methyloxolan-3-yl)sulfanylpyridin-2-amine is CNc1nc(SC2CCOC2C)c(F)cc1F.
What is the InChIKey of 3,5-difluoro-N-methyl-6-(2-methyloxolan-3-yl)sulfanylpyridin-2-amine?
The InChIKey is DFTQLBRVCRRIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2OS/c1-6-9(3-4-16-6)17-11-8(13)5-7(12)10(14-2)15-11/h5-6,9H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 3,5-difluoro-N-methyl-6-(2-methyloxolan-3-yl)sulfanylpyridin-2-amine?
3,5-difluoro-N-methyl-6-(2-methyloxolan-3-yl)sulfanylpyridin-2-amine has a molecular weight of 260.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-methyl-6-(2-methyloxolan-3-yl)sulfanylpyridin-2-amine is sourced from PubChem (CID 114073941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).