4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpyridin-2-amine

C15H19N3S — CID 102926949

IUPAC4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(Sc2cc(C)cc(C)n2)ccn1
InChIInChI=1S/C15H19N3S/c1-4-6-16-14-10-13(5-7-17-14)19-15-9-11(2)8-12(3)18-15/h5,7-10H,4,6H2,1-3H3,(H,16,17)
InChIKeyMZPIWIHQNLXEFZ-UHFFFAOYSA-N
MW273.41 g/mol
LogP4.07
Rot. Bonds5

About 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpyridin-2-amine

4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpyridin-2-amine (PubChem CID 102926949) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpyridin-2-amine
PubChem CID102926949
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(Sc2cc(C)cc(C)n2)ccn1
InChIInChI=1S/C15H19N3S/c1-4-6-16-14-10-13(5-7-17-14)19-15-9-11(2)8-12(3)18-15/h5,7-10H,4,6H2,1-3H3,(H,16,17)
InChIKeyMZPIWIHQNLXEFZ-UHFFFAOYSA-N
XLogP4.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyridin-2-amine
CID 113368229
N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine
CID 102926160
N-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 62201721
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 102927014
2-methyl-3-[[2-(propylamino)-4-pyridinyl]sulfanyl]-1H-1,2,4-triazine-5,6-dione
CID 107785267
6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80885590
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylpyridin-2-amine
CID 102926926
N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]ethanamine
CID 102926128
6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine
CID 80942664
N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]propan-1-amine
CID 102925512
N-propyl-6-pyridin-4-ylsulfanylpyridin-2-amine
CID 80890762
6-(4-methylphenyl)sulfanyl-N-propylpyridin-2-amine
CID 80885007

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpyridin-2-amine?
The IUPAC name of 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpyridin-2-amine (CID 102926949) is 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpyridin-2-amine?
The canonical SMILES for 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpyridin-2-amine is CCCNc1cc(Sc2cc(C)cc(C)n2)ccn1.
What is the InChIKey of 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpyridin-2-amine?
The InChIKey is MZPIWIHQNLXEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-4-6-16-14-10-13(5-7-17-14)19-15-9-11(2)8-12(3)18-15/h5,7-10H,4,6H2,1-3H3,(H,16,17).
What are the key properties of 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpyridin-2-amine?
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpyridin-2-amine has a molecular weight of 273.41 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 102926949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).