5-chloro-6-(2-methoxyethylsulfanylmethyl)-N-propylpyridin-2-amine

C12H19ClN2OS — CID 55127556

IUPAC5-chloro-6-(2-methoxyethylsulfanylmethyl)-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CSCCOC)n1
InChIInChI=1S/C12H19ClN2OS/c1-3-6-14-12-5-4-10(13)11(15-12)9-17-8-7-16-2/h4-5H,3,6-9H2,1-2H3,(H,14,15)
InChIKeyMXRIKTQOTOXSKV-UHFFFAOYSA-N
MW274.82 g/mol
LogP3.44
Rot. Bonds8

About 5-chloro-6-(2-methoxyethylsulfanylmethyl)-N-propylpyridin-2-amine

5-chloro-6-(2-methoxyethylsulfanylmethyl)-N-propylpyridin-2-amine (PubChem CID 55127556) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is 5-chloro-6-(2-methoxyethylsulfanylmethyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-(2-methoxyethylsulfanylmethyl)-N-propylpyridin-2-amine
PubChem CID55127556
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC Name5-chloro-6-(2-methoxyethylsulfanylmethyl)-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CSCCOC)n1
InChIInChI=1S/C12H19ClN2OS/c1-3-6-14-12-5-4-10(13)11(15-12)9-17-8-7-16-2/h4-5H,3,6-9H2,1-2H3,(H,14,15)
InChIKeyMXRIKTQOTOXSKV-UHFFFAOYSA-N
XLogP3.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-6-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine
CID 55262087
5-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]-N-propylpyridin-2-amine
CID 63485717
5-chloro-6-(cyclopentylmethylsulfanylmethyl)-N-propylpyridin-2-amine
CID 63486764
5-chloro-6-[(4-chlorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 63486396
4-[[3-chloro-6-(propylamino)-2-pyridinyl]methylsulfanyl]phenol
CID 62885661
[6-(butylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine
CID 62884947
5-chloro-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 55127461
5-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine
CID 63857257
5-chloro-6-[[methyl(2-methylsulfanylethyl)amino]methyl]-N-propylpyridin-2-amine
CID 112664254
5-chloro-6-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 62885838
5-chloro-6-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62890773
3-chloro-N-(3-ethoxypropyl)-6-(propylamino)pyridine-2-carboxamide
CID 62165038

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-methoxyethylsulfanylmethyl)-N-propylpyridin-2-amine?
The IUPAC name of 5-chloro-6-(2-methoxyethylsulfanylmethyl)-N-propylpyridin-2-amine (CID 55127556) is 5-chloro-6-(2-methoxyethylsulfanylmethyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-(2-methoxyethylsulfanylmethyl)-N-propylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-(2-methoxyethylsulfanylmethyl)-N-propylpyridin-2-amine is CCCNc1ccc(Cl)c(CSCCOC)n1.
What is the InChIKey of 5-chloro-6-(2-methoxyethylsulfanylmethyl)-N-propylpyridin-2-amine?
The InChIKey is MXRIKTQOTOXSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2OS/c1-3-6-14-12-5-4-10(13)11(15-12)9-17-8-7-16-2/h4-5H,3,6-9H2,1-2H3,(H,14,15).
What are the key properties of 5-chloro-6-(2-methoxyethylsulfanylmethyl)-N-propylpyridin-2-amine?
5-chloro-6-(2-methoxyethylsulfanylmethyl)-N-propylpyridin-2-amine has a molecular weight of 274.82 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-methoxyethylsulfanylmethyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 55127556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).