3,5-difluoro-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine

C11H11F2N3S — CID 114074049

IUPAC3,5-difluoro-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine
SMILESNc1nc(NCCc2cccs2)c(F)cc1F
InChIInChI=1S/C11H11F2N3S/c12-8-6-9(13)11(16-10(8)14)15-4-3-7-2-1-5-17-7/h1-2,5-6H,3-4H2,(H3,14,15,16)
InChIKeyMTYUTKKUUMXZCF-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.66
Rot. Bonds4

About 3,5-difluoro-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine

3,5-difluoro-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine (PubChem CID 114074049) has the molecular formula C11H11F2N3S and a molecular weight of 255.29 g/mol. Its IUPAC name is 3,5-difluoro-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-difluoro-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine
PubChem CID114074049
Molecular FormulaC11H11F2N3S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name3,5-difluoro-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine
SMILESNc1nc(NCCc2cccs2)c(F)cc1F
InChIInChI=1S/C11H11F2N3S/c12-8-6-9(13)11(16-10(8)14)15-4-3-7-2-1-5-17-7/h1-2,5-6H,3-4H2,(H3,14,15,16)
InChIKeyMTYUTKKUUMXZCF-UHFFFAOYSA-N
XLogP2.66
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-fluorophenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19145262
2-chloro-6-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 114043536
6-methyl-4-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324377
5-bromo-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795936
6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 23477636
3,6-dichloro-N-(2-thiophen-2-ylethyl)-1,2,4-triazin-5-amine
CID 81036300
4-N-tert-butyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22540400
3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63774162
4-N-(2-methoxyethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19150523
4-ethoxy-5-fluoro-2-N-(2-thiophen-2-ylethyl)benzene-1,2-diamine
CID 55218205
3-amino-2-(2-thiophen-2-ylethylamino)pyridine-4-carbonitrile
CID 82816718
3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63773614

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-difluoro-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine (CID 114074049) is 3,5-difluoro-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-difluoro-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-difluoro-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine is Nc1nc(NCCc2cccs2)c(F)cc1F.
What is the InChIKey of 3,5-difluoro-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine?
The InChIKey is MTYUTKKUUMXZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3S/c12-8-6-9(13)11(16-10(8)14)15-4-3-7-2-1-5-17-7/h1-2,5-6H,3-4H2,(H3,14,15,16).
What are the key properties of 3,5-difluoro-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine?
3,5-difluoro-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine has a molecular weight of 255.29 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine is sourced from PubChem (CID 114074049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).