2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine

C13H17N3S — CID 79475919

IUPAC2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine
SMILESCc1cc(N(C)CCc2cccs2)ncc1N
InChIInChI=1S/C13H17N3S/c1-10-8-13(15-9-12(10)14)16(2)6-5-11-4-3-7-17-11/h3-4,7-9H,5-6,14H2,1-2H3
InChIKeyVLHVVYWIDAEMBQ-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.71
Rot. Bonds4

About 2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine

2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine (PubChem CID 79475919) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine
PubChem CID79475919
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine
SMILESCc1cc(N(C)CCc2cccs2)ncc1N
InChIInChI=1S/C13H17N3S/c1-10-8-13(15-9-12(10)14)16(2)6-5-11-4-3-7-17-11/h3-4,7-9H,5-6,14H2,1-2H3
InChIKeyVLHVVYWIDAEMBQ-UHFFFAOYSA-N
XLogP2.71
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-4-carboxamide
CID 114090453
4-N,2-dimethyl-4-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine
CID 79475986
4-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79470037
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79470640
2-N-[2-(2-bromophenyl)ethyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 115147511
1-N,4-dimethyl-1-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine
CID 79475627
2-N,4-dimethyl-2-N-(3-phenylpropyl)pyridine-2,5-diamine
CID 79173631
6-N-methyl-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine
CID 80652044
5-chloro-N-methyl-4-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 114926750
2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 79173849
4-bromo-2-N-methyl-2-N-(2-thiophen-2-ylethyl)benzene-1,2-diamine
CID 79475851
6-ethoxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 133484675

Frequently Asked Questions

What is the IUPAC name of 2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine?
The IUPAC name of 2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine (CID 79475919) is 2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine is Cc1cc(N(C)CCc2cccs2)ncc1N.
What is the InChIKey of 2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine?
The InChIKey is VLHVVYWIDAEMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-10-8-13(15-9-12(10)14)16(2)6-5-11-4-3-7-17-11/h3-4,7-9H,5-6,14H2,1-2H3.
What are the key properties of 2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine?
2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine has a molecular weight of 247.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine is sourced from PubChem (CID 79475919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).