2-(cyclopropylmethoxy)-6-(oxetan-3-ylsulfanyl)pyridin-3-amine

C12H16N2O2S — CID 79326045

IUPAC2-(cyclopropylmethoxy)-6-(oxetan-3-ylsulfanyl)pyridin-3-amine
SMILESNc1ccc(SC2COC2)nc1OCC1CC1
InChIInChI=1S/C12H16N2O2S/c13-10-3-4-11(17-9-6-15-7-9)14-12(10)16-5-8-1-2-8/h3-4,8-9H,1-2,5-7,13H2
InChIKeyLCHNFFKJRMKIET-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.94
Rot. Bonds5

About 2-(cyclopropylmethoxy)-6-(oxetan-3-ylsulfanyl)pyridin-3-amine

2-(cyclopropylmethoxy)-6-(oxetan-3-ylsulfanyl)pyridin-3-amine (PubChem CID 79326045) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-6-(oxetan-3-ylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-6-(oxetan-3-ylsulfanyl)pyridin-3-amine
PubChem CID79326045
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name2-(cyclopropylmethoxy)-6-(oxetan-3-ylsulfanyl)pyridin-3-amine
SMILESNc1ccc(SC2COC2)nc1OCC1CC1
InChIInChI=1S/C12H16N2O2S/c13-10-3-4-11(17-9-6-15-7-9)14-12(10)16-5-8-1-2-8/h3-4,8-9H,1-2,5-7,13H2
InChIKeyLCHNFFKJRMKIET-UHFFFAOYSA-N
XLogP1.94
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-6-(oxetan-3-ylsulfanyl)pyridin-3-amine?
The IUPAC name of 2-(cyclopropylmethoxy)-6-(oxetan-3-ylsulfanyl)pyridin-3-amine (CID 79326045) is 2-(cyclopropylmethoxy)-6-(oxetan-3-ylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 2-(cyclopropylmethoxy)-6-(oxetan-3-ylsulfanyl)pyridin-3-amine?
The canonical SMILES for 2-(cyclopropylmethoxy)-6-(oxetan-3-ylsulfanyl)pyridin-3-amine is Nc1ccc(SC2COC2)nc1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-6-(oxetan-3-ylsulfanyl)pyridin-3-amine?
The InChIKey is LCHNFFKJRMKIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c13-10-3-4-11(17-9-6-15-7-9)14-12(10)16-5-8-1-2-8/h3-4,8-9H,1-2,5-7,13H2.
What are the key properties of 2-(cyclopropylmethoxy)-6-(oxetan-3-ylsulfanyl)pyridin-3-amine?
2-(cyclopropylmethoxy)-6-(oxetan-3-ylsulfanyl)pyridin-3-amine has a molecular weight of 252.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-6-(oxetan-3-ylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 79326045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).