4-methyl-2-N-[2-(3-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine

C13H17N3S — CID 115147485

IUPAC4-methyl-2-N-[2-(3-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine
SMILESCc1cc(NCCc2sccc2C)ncc1N
InChIInChI=1S/C13H17N3S/c1-9-4-6-17-12(9)3-5-15-13-7-10(2)11(14)8-16-13/h4,6-8H,3,5,14H2,1-2H3,(H,15,16)
InChIKeyKCLJRFCHXQSBCZ-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.00
Rot. Bonds4

About 4-methyl-2-N-[2-(3-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine

4-methyl-2-N-[2-(3-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine (PubChem CID 115147485) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 4-methyl-2-N-[2-(3-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name4-methyl-2-N-[2-(3-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine
PubChem CID115147485
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name4-methyl-2-N-[2-(3-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine
SMILESCc1cc(NCCc2sccc2C)ncc1N
InChIInChI=1S/C13H17N3S/c1-9-4-6-17-12(9)3-5-15-13-7-10(2)11(14)8-16-13/h4,6-8H,3,5,14H2,1-2H3,(H,15,16)
InChIKeyKCLJRFCHXQSBCZ-UHFFFAOYSA-N
XLogP3.00
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-[2-(3-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine?
The IUPAC name of 4-methyl-2-N-[2-(3-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine (CID 115147485) is 4-methyl-2-N-[2-(3-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 4-methyl-2-N-[2-(3-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine?
The canonical SMILES for 4-methyl-2-N-[2-(3-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine is Cc1cc(NCCc2sccc2C)ncc1N.
What is the InChIKey of 4-methyl-2-N-[2-(3-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine?
The InChIKey is KCLJRFCHXQSBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9-4-6-17-12(9)3-5-15-13-7-10(2)11(14)8-16-13/h4,6-8H,3,5,14H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-2-N-[2-(3-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine?
4-methyl-2-N-[2-(3-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine has a molecular weight of 247.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-[2-(3-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 115147485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).