6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(2-methylpropoxy)pyridin-3-amine

C16H21N3OS — CID 102924674

IUPAC6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(2-methylpropoxy)pyridin-3-amine
SMILESCc1cc(C)nc(Sc2ccc(N)c(OCC(C)C)n2)c1
InChIInChI=1S/C16H21N3OS/c1-10(2)9-20-16-13(17)5-6-14(19-16)21-15-8-11(3)7-12(4)18-15/h5-8,10H,9,17H2,1-4H3
InChIKeyZXTNHZZRDGFFDU-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.86
Rot. Bonds5

About 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(2-methylpropoxy)pyridin-3-amine

6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(2-methylpropoxy)pyridin-3-amine (PubChem CID 102924674) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(2-methylpropoxy)pyridin-3-amine.

Molecular Properties

Compound Name6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(2-methylpropoxy)pyridin-3-amine
PubChem CID102924674
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(2-methylpropoxy)pyridin-3-amine
SMILESCc1cc(C)nc(Sc2ccc(N)c(OCC(C)C)n2)c1
InChIInChI=1S/C16H21N3OS/c1-10(2)9-20-16-13(17)5-6-14(19-16)21-15-8-11(3)7-12(4)18-15/h5-8,10H,9,17H2,1-4H3
InChIKeyZXTNHZZRDGFFDU-UHFFFAOYSA-N
XLogP3.86
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylpropoxy)-6-pyrazin-2-ylsulfanylpyridin-3-amine
CID 63537558
6-(4-methoxyphenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine
CID 43262736
6-(3-bromophenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine
CID 63536884
6-[(3-methylphenyl)methylsulfanyl]-2-(2-methylpropoxy)pyridin-3-amine
CID 63538558
2-(2-methylpropoxy)-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-3-amine
CID 115382764
2-N-(3-fluoro-5-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 79041425
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]aniline
CID 102924564
6-(2,5-dimethylphenyl)sulfanyl-2-propoxypyridin-3-amine
CID 43262808
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-propan-2-yloxypyrimidin-5-amine
CID 102924624
2-N-(2-chloro-4-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43261762
4-chloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylaniline
CID 112740978
ethyl 3-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzoate
CID 102925477

Frequently Asked Questions

What is the IUPAC name of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(2-methylpropoxy)pyridin-3-amine?
The IUPAC name of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(2-methylpropoxy)pyridin-3-amine (CID 102924674) is 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(2-methylpropoxy)pyridin-3-amine.
What is the SMILES notation for 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(2-methylpropoxy)pyridin-3-amine?
The canonical SMILES for 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(2-methylpropoxy)pyridin-3-amine is Cc1cc(C)nc(Sc2ccc(N)c(OCC(C)C)n2)c1.
What is the InChIKey of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(2-methylpropoxy)pyridin-3-amine?
The InChIKey is ZXTNHZZRDGFFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-10(2)9-20-16-13(17)5-6-14(19-16)21-15-8-11(3)7-12(4)18-15/h5-8,10H,9,17H2,1-4H3.
What are the key properties of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(2-methylpropoxy)pyridin-3-amine?
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(2-methylpropoxy)pyridin-3-amine has a molecular weight of 303.43 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(2-methylpropoxy)pyridin-3-amine is sourced from PubChem (CID 102924674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).