2-(cyclopropylmethoxy)-6-(2-methyloxolan-3-yl)sulfanylpyridin-3-amine

C14H20N2O2S — CID 107747654

IUPAC2-(cyclopropylmethoxy)-6-(2-methyloxolan-3-yl)sulfanylpyridin-3-amine
SMILESCC1OCCC1Sc1ccc(N)c(OCC2CC2)n1
InChIInChI=1S/C14H20N2O2S/c1-9-12(6-7-17-9)19-13-5-4-11(15)14(16-13)18-8-10-2-3-10/h4-5,9-10,12H,2-3,6-8,15H2,1H3
InChIKeyXOJJJLBNIWVLPX-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.72
Rot. Bonds5

About 2-(cyclopropylmethoxy)-6-(2-methyloxolan-3-yl)sulfanylpyridin-3-amine

2-(cyclopropylmethoxy)-6-(2-methyloxolan-3-yl)sulfanylpyridin-3-amine (PubChem CID 107747654) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-6-(2-methyloxolan-3-yl)sulfanylpyridin-3-amine.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-6-(2-methyloxolan-3-yl)sulfanylpyridin-3-amine
PubChem CID107747654
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-(cyclopropylmethoxy)-6-(2-methyloxolan-3-yl)sulfanylpyridin-3-amine
SMILESCC1OCCC1Sc1ccc(N)c(OCC2CC2)n1
InChIInChI=1S/C14H20N2O2S/c1-9-12(6-7-17-9)19-13-5-4-11(15)14(16-13)18-8-10-2-3-10/h4-5,9-10,12H,2-3,6-8,15H2,1H3
InChIKeyXOJJJLBNIWVLPX-UHFFFAOYSA-N
XLogP2.72
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethoxy)-6-(oxetan-3-ylsulfanyl)pyridin-3-amine
CID 79326045
2-(cyclopropylmethoxy)-6-(3-methylcyclohexyl)sulfanylpyridin-3-amine
CID 63537895
2-(cyclopropylmethoxy)-6-phenylsulfanylpyridin-3-amine
CID 43262642
2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]ethanol
CID 43617394
2-(cyclopropylmethoxy)-6-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine
CID 63538557
2-(2-methyloxolan-3-yl)sulfanylpyridin-3-amine
CID 107747529
2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 135895322
4-[[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 106120160
2-ethoxy-6-(3-methylcyclohexyl)sulfanylpyridin-3-amine
CID 63537724
[2-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-yl]methanamine
CID 107751932
2-(cyclopropylmethoxy)-6-(4-methylazepan-1-yl)pyridin-3-amine
CID 63622042
5-amino-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid
CID 114408700

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-6-(2-methyloxolan-3-yl)sulfanylpyridin-3-amine?
The IUPAC name of 2-(cyclopropylmethoxy)-6-(2-methyloxolan-3-yl)sulfanylpyridin-3-amine (CID 107747654) is 2-(cyclopropylmethoxy)-6-(2-methyloxolan-3-yl)sulfanylpyridin-3-amine.
What is the SMILES notation for 2-(cyclopropylmethoxy)-6-(2-methyloxolan-3-yl)sulfanylpyridin-3-amine?
The canonical SMILES for 2-(cyclopropylmethoxy)-6-(2-methyloxolan-3-yl)sulfanylpyridin-3-amine is CC1OCCC1Sc1ccc(N)c(OCC2CC2)n1.
What is the InChIKey of 2-(cyclopropylmethoxy)-6-(2-methyloxolan-3-yl)sulfanylpyridin-3-amine?
The InChIKey is XOJJJLBNIWVLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-9-12(6-7-17-9)19-13-5-4-11(15)14(16-13)18-8-10-2-3-10/h4-5,9-10,12H,2-3,6-8,15H2,1H3.
What are the key properties of 2-(cyclopropylmethoxy)-6-(2-methyloxolan-3-yl)sulfanylpyridin-3-amine?
2-(cyclopropylmethoxy)-6-(2-methyloxolan-3-yl)sulfanylpyridin-3-amine has a molecular weight of 280.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-6-(2-methyloxolan-3-yl)sulfanylpyridin-3-amine is sourced from PubChem (CID 107747654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).