2-[[2,6-bis(4-methoxy-2-pyridinyl)-4-pyridinyl]sulfanyl]ethanamine

C19H20N4O2S — CID 122205488

IUPAC2-[[2,6-bis(4-methoxy-2-pyridinyl)-4-pyridinyl]sulfanyl]ethanamine
SMILESCOc1ccnc(-c2cc(SCCN)cc(-c3cc(OC)ccn3)n2)c1
InChIInChI=1S/C19H20N4O2S/c1-24-13-3-6-21-16(9-13)18-11-15(26-8-5-20)12-19(23-18)17-10-14(25-2)4-7-22-17/h3-4,6-7,9-12H,5,8,20H2,1-2H3
InChIKeyGSPWTGMNOWDXDS-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.27
Rot. Bonds7

About 2-[[2,6-bis(4-methoxy-2-pyridinyl)-4-pyridinyl]sulfanyl]ethanamine

2-[[2,6-bis(4-methoxy-2-pyridinyl)-4-pyridinyl]sulfanyl]ethanamine (PubChem CID 122205488) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[[2,6-bis(4-methoxy-2-pyridinyl)-4-pyridinyl]sulfanyl]ethanamine.

Molecular Properties

Compound Name2-[[2,6-bis(4-methoxy-2-pyridinyl)-4-pyridinyl]sulfanyl]ethanamine
PubChem CID122205488
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name2-[[2,6-bis(4-methoxy-2-pyridinyl)-4-pyridinyl]sulfanyl]ethanamine
SMILESCOc1ccnc(-c2cc(SCCN)cc(-c3cc(OC)ccn3)n2)c1
InChIInChI=1S/C19H20N4O2S/c1-24-13-3-6-21-16(9-13)18-11-15(26-8-5-20)12-19(23-18)17-10-14(25-2)4-7-22-17/h3-4,6-7,9-12H,5,8,20H2,1-2H3
InChIKeyGSPWTGMNOWDXDS-UHFFFAOYSA-N
XLogP3.27
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[2,6-bis(4-methoxy-2-pyridinyl)-4-pyridinyl]sulfanyl]ethanamine with MolForge

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Launch Full Analysis

Related Compounds

bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);decakis(oxygen(2-));tungsten;bis(vanadium)
CID 53380093
N'-hydroxy-4-methoxy-6-(4-methoxy-2-pyridinyl)pyridine-2-carboximidamide
CID 135455563
2-(4-methoxy-2-pyridinyl)-4-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]pyridine
CID 143444623
chloroosmium;3-imidazol-1-ylpropan-1-amine;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine)
CID 59575067
4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;trichloride
CID 158814278
2-(2,5-dichlorophenyl)-4-methoxypyridine
CID 118819379
hydron;4-methoxypyridin-2-amine
CID 131852579
3-(2,7-dimethoxyacridin-9-yl)oxypropan-1-amine
CID 53475922
[4-(4-methoxyphenyl)sulfanyl-2-pyridinyl]methanamine
CID 55155886
2-[(4-methoxyphenyl)disulfanyl]ethanamine
CID 10060733
3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine;hydrochloride
CID 71699942
ethane;5-(4-methoxy-2-pyridinyl)-3-methyl-1,2,4-oxadiazole
CID 144912637

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-bis(4-methoxy-2-pyridinyl)-4-pyridinyl]sulfanyl]ethanamine?
The IUPAC name of 2-[[2,6-bis(4-methoxy-2-pyridinyl)-4-pyridinyl]sulfanyl]ethanamine (CID 122205488) is 2-[[2,6-bis(4-methoxy-2-pyridinyl)-4-pyridinyl]sulfanyl]ethanamine.
What is the SMILES notation for 2-[[2,6-bis(4-methoxy-2-pyridinyl)-4-pyridinyl]sulfanyl]ethanamine?
The canonical SMILES for 2-[[2,6-bis(4-methoxy-2-pyridinyl)-4-pyridinyl]sulfanyl]ethanamine is COc1ccnc(-c2cc(SCCN)cc(-c3cc(OC)ccn3)n2)c1.
What is the InChIKey of 2-[[2,6-bis(4-methoxy-2-pyridinyl)-4-pyridinyl]sulfanyl]ethanamine?
The InChIKey is GSPWTGMNOWDXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-24-13-3-6-21-16(9-13)18-11-15(26-8-5-20)12-19(23-18)17-10-14(25-2)4-7-22-17/h3-4,6-7,9-12H,5,8,20H2,1-2H3.
What are the key properties of 2-[[2,6-bis(4-methoxy-2-pyridinyl)-4-pyridinyl]sulfanyl]ethanamine?
2-[[2,6-bis(4-methoxy-2-pyridinyl)-4-pyridinyl]sulfanyl]ethanamine has a molecular weight of 368.46 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-bis(4-methoxy-2-pyridinyl)-4-pyridinyl]sulfanyl]ethanamine is sourced from PubChem (CID 122205488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).