4-(2-amino-4-methylpentoxy)-6-(2,6-dimethylphenyl)-N-methylsulfanylpyridin-2-amine

C20H29N3OS — CID 163245720

IUPAC4-(2-amino-4-methylpentoxy)-6-(2,6-dimethylphenyl)-N-methylsulfanylpyridin-2-amine
SMILESCSNc1cc(OCC(N)CC(C)C)cc(-c2c(C)cccc2C)n1
InChIInChI=1S/C20H29N3OS/c1-13(2)9-16(21)12-24-17-10-18(22-19(11-17)23-25-5)20-14(3)7-6-8-15(20)4/h6-8,10-11,13,16H,9,12,21H2,1-5H3,(H,22,23)
InChIKeyFTKWYDJVRSYHDX-UHFFFAOYSA-N
MW359.54 g/mol
LogP4.81
Rot. Bonds8

About 4-(2-amino-4-methylpentoxy)-6-(2,6-dimethylphenyl)-N-methylsulfanylpyridin-2-amine

4-(2-amino-4-methylpentoxy)-6-(2,6-dimethylphenyl)-N-methylsulfanylpyridin-2-amine (PubChem CID 163245720) has the molecular formula C20H29N3OS and a molecular weight of 359.54 g/mol. Its IUPAC name is 4-(2-amino-4-methylpentoxy)-6-(2,6-dimethylphenyl)-N-methylsulfanylpyridin-2-amine.

Molecular Properties

Compound Name4-(2-amino-4-methylpentoxy)-6-(2,6-dimethylphenyl)-N-methylsulfanylpyridin-2-amine
PubChem CID163245720
Molecular FormulaC20H29N3OS
Molecular Weight359.54 g/mol
Exact Mass359.20
IUPAC Name4-(2-amino-4-methylpentoxy)-6-(2,6-dimethylphenyl)-N-methylsulfanylpyridin-2-amine
SMILESCSNc1cc(OCC(N)CC(C)C)cc(-c2c(C)cccc2C)n1
InChIInChI=1S/C20H29N3OS/c1-13(2)9-16(21)12-24-17-10-18(22-19(11-17)23-25-5)20-14(3)7-6-8-15(20)4/h6-8,10-11,13,16H,9,12,21H2,1-5H3,(H,22,23)
InChIKeyFTKWYDJVRSYHDX-UHFFFAOYSA-N
XLogP4.81
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-[(2R)-2-amino-4-methylpentoxy]-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]benzoic acid
CID 163243501
3-[[4-(3-amino-5-methylhexyl)-6-(2,6-dimethylphenyl)pyrimidin-2-yl]amino]sulfanylbenzoic acid
CID 163242875
6-[[6-(2,6-dimethylphenyl)-4-[(2R)-4-methyl-2-(spiro[2.3]hexan-5-ylamino)pentoxy]-2-pyridinyl]sulfamoyl]pyridine-2-carboxylic acid
CID 163245522
N-[4-[2-(2-amino-4-methylpentoxy)-3-methylphenyl]-2-pyridinyl]acetamide
CID 118420569
3-[[4-[(3R)-3-amino-5-methylhexyl]-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]benzamide
CID 174150491
4-(2,6-dimethylphenyl)-6-[(2R)-4-methyl-2-(methylamino)pentoxy]-2-(sulfinatoamino)pyrimidine
CID 170407957
1-(5H-chromeno[4,3-b]pyridin-8-yloxy)-4-methylpentan-2-amine
CID 90233481
(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 39378942
6-methyl-N-methylsulfanylpyridin-2-amine
CID 129181799
6-(2,6-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxypyrimidin-4-amine
CID 20604139
4-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 117241681
1-(2,3-dimethylphenyl)-3-methylbutan-1-amine
CID 584234

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-methylpentoxy)-6-(2,6-dimethylphenyl)-N-methylsulfanylpyridin-2-amine?
The IUPAC name of 4-(2-amino-4-methylpentoxy)-6-(2,6-dimethylphenyl)-N-methylsulfanylpyridin-2-amine (CID 163245720) is 4-(2-amino-4-methylpentoxy)-6-(2,6-dimethylphenyl)-N-methylsulfanylpyridin-2-amine.
What is the SMILES notation for 4-(2-amino-4-methylpentoxy)-6-(2,6-dimethylphenyl)-N-methylsulfanylpyridin-2-amine?
The canonical SMILES for 4-(2-amino-4-methylpentoxy)-6-(2,6-dimethylphenyl)-N-methylsulfanylpyridin-2-amine is CSNc1cc(OCC(N)CC(C)C)cc(-c2c(C)cccc2C)n1.
What is the InChIKey of 4-(2-amino-4-methylpentoxy)-6-(2,6-dimethylphenyl)-N-methylsulfanylpyridin-2-amine?
The InChIKey is FTKWYDJVRSYHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3OS/c1-13(2)9-16(21)12-24-17-10-18(22-19(11-17)23-25-5)20-14(3)7-6-8-15(20)4/h6-8,10-11,13,16H,9,12,21H2,1-5H3,(H,22,23).
What are the key properties of 4-(2-amino-4-methylpentoxy)-6-(2,6-dimethylphenyl)-N-methylsulfanylpyridin-2-amine?
4-(2-amino-4-methylpentoxy)-6-(2,6-dimethylphenyl)-N-methylsulfanylpyridin-2-amine has a molecular weight of 359.54 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-methylpentoxy)-6-(2,6-dimethylphenyl)-N-methylsulfanylpyridin-2-amine is sourced from PubChem (CID 163245720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).