3,5-dichloro-N-ethyl-6-(oxetan-3-ylsulfanyl)pyridin-2-amine

C10H12Cl2N2OS — CID 102761558

IUPAC3,5-dichloro-N-ethyl-6-(oxetan-3-ylsulfanyl)pyridin-2-amine
SMILESCCNc1nc(SC2COC2)c(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N2OS/c1-2-13-9-7(11)3-8(12)10(14-9)16-6-4-15-5-6/h3,6H,2,4-5H2,1H3,(H,13,14)
InChIKeyGLBPIDLYGXYBPE-UHFFFAOYSA-N
MW279.19 g/mol
LogP3.31
Rot. Bonds4

About 3,5-dichloro-N-ethyl-6-(oxetan-3-ylsulfanyl)pyridin-2-amine

3,5-dichloro-N-ethyl-6-(oxetan-3-ylsulfanyl)pyridin-2-amine (PubChem CID 102761558) has the molecular formula C10H12Cl2N2OS and a molecular weight of 279.19 g/mol. Its IUPAC name is 3,5-dichloro-N-ethyl-6-(oxetan-3-ylsulfanyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-ethyl-6-(oxetan-3-ylsulfanyl)pyridin-2-amine
PubChem CID102761558
Molecular FormulaC10H12Cl2N2OS
Molecular Weight279.19 g/mol
Exact Mass278.00
IUPAC Name3,5-dichloro-N-ethyl-6-(oxetan-3-ylsulfanyl)pyridin-2-amine
SMILESCCNc1nc(SC2COC2)c(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N2OS/c1-2-13-9-7(11)3-8(12)10(14-9)16-6-4-15-5-6/h3,6H,2,4-5H2,1H3,(H,13,14)
InChIKeyGLBPIDLYGXYBPE-UHFFFAOYSA-N
XLogP3.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.19
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-ethyl-6-(oxetan-3-ylsulfanyl)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-ethyl-6-(oxetan-3-ylsulfanyl)pyridin-2-amine (CID 102761558) is 3,5-dichloro-N-ethyl-6-(oxetan-3-ylsulfanyl)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-ethyl-6-(oxetan-3-ylsulfanyl)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-ethyl-6-(oxetan-3-ylsulfanyl)pyridin-2-amine is CCNc1nc(SC2COC2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-ethyl-6-(oxetan-3-ylsulfanyl)pyridin-2-amine?
The InChIKey is GLBPIDLYGXYBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2OS/c1-2-13-9-7(11)3-8(12)10(14-9)16-6-4-15-5-6/h3,6H,2,4-5H2,1H3,(H,13,14).
What are the key properties of 3,5-dichloro-N-ethyl-6-(oxetan-3-ylsulfanyl)pyridin-2-amine?
3,5-dichloro-N-ethyl-6-(oxetan-3-ylsulfanyl)pyridin-2-amine has a molecular weight of 279.19 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-ethyl-6-(oxetan-3-ylsulfanyl)pyridin-2-amine is sourced from PubChem (CID 102761558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).