3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol

C10H16N2O2S — CID 107770266

IUPAC3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol
SMILESCOc1nc(SC(C)C(C)O)ccc1N
InChIInChI=1S/C10H16N2O2S/c1-6(13)7(2)15-9-5-4-8(11)10(12-9)14-3/h4-7,13H,11H2,1-3H3
InChIKeyXGYWJJHMDCEVFI-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.53
Rot. Bonds4

About 3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol

3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol (PubChem CID 107770266) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol.

Molecular Properties

Compound Name3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol
PubChem CID107770266
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol
SMILESCOc1nc(SC(C)C(C)O)ccc1N
InChIInChI=1S/C10H16N2O2S/c1-6(13)7(2)15-9-5-4-8(11)10(12-9)14-3/h4-7,13H,11H2,1-3H3
InChIKeyXGYWJJHMDCEVFI-UHFFFAOYSA-N
XLogP1.53
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 66105506
3-[(6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol
CID 107771109
2-methoxy-6-(4-propan-2-ylphenyl)sulfanylpyridin-3-amine
CID 43262707
2-methoxy-6-propan-2-ylpyridin-3-amine
CID 82597195
6-(2,5-difluorophenyl)sulfanyl-2-methoxypyridin-3-amine
CID 43518948
6-(3,4-dimethylphenyl)sulfanyl-2-methoxypyridin-3-amine
CID 43262776
3-(2,6-diaminopyrimidin-4-yl)sulfanylbutan-2-ol
CID 107772733
3-[(6-chloro-2-pyridinyl)sulfanyl]butan-2-ol
CID 107770920
2-methoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-3-amine
CID 43262797
6-ethenyl-2-methoxypyridin-3-amine
CID 74890973
2-methoxy-6-[(2-methylphenyl)methylsulfanyl]pyridin-3-amine
CID 55112968
3-[(2-methoxy-4-pyridinyl)sulfanyl]butan-2-ol
CID 107771094

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol?
The IUPAC name of 3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol (CID 107770266) is 3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol.
What is the SMILES notation for 3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol?
The canonical SMILES for 3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol is COc1nc(SC(C)C(C)O)ccc1N.
What is the InChIKey of 3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol?
The InChIKey is XGYWJJHMDCEVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-6(13)7(2)15-9-5-4-8(11)10(12-9)14-3/h4-7,13H,11H2,1-3H3.
What are the key properties of 3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol?
3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol has a molecular weight of 228.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol is sourced from PubChem (CID 107770266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).