3,5-dichloro-N-methyl-6-(3-methylbutylsulfanyl)pyridin-2-amine

C11H16Cl2N2S — CID 107765930

IUPAC3,5-dichloro-N-methyl-6-(3-methylbutylsulfanyl)pyridin-2-amine
SMILESCNc1nc(SCCC(C)C)c(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2S/c1-7(2)4-5-16-11-9(13)6-8(12)10(14-3)15-11/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyOGBMLPXNZIIDBI-UHFFFAOYSA-N
MW279.24 g/mol
LogP4.57
Rot. Bonds5

About 3,5-dichloro-N-methyl-6-(3-methylbutylsulfanyl)pyridin-2-amine

3,5-dichloro-N-methyl-6-(3-methylbutylsulfanyl)pyridin-2-amine (PubChem CID 107765930) has the molecular formula C11H16Cl2N2S and a molecular weight of 279.24 g/mol. Its IUPAC name is 3,5-dichloro-N-methyl-6-(3-methylbutylsulfanyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-methyl-6-(3-methylbutylsulfanyl)pyridin-2-amine
PubChem CID107765930
Molecular FormulaC11H16Cl2N2S
Molecular Weight279.24 g/mol
Exact Mass278.04
IUPAC Name3,5-dichloro-N-methyl-6-(3-methylbutylsulfanyl)pyridin-2-amine
SMILESCNc1nc(SCCC(C)C)c(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2S/c1-7(2)4-5-16-11-9(13)6-8(12)10(14-3)15-11/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyOGBMLPXNZIIDBI-UHFFFAOYSA-N
XLogP4.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-methyl-6-(3-methylbutylsulfanyl)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-methyl-6-(3-methylbutylsulfanyl)pyridin-2-amine (CID 107765930) is 3,5-dichloro-N-methyl-6-(3-methylbutylsulfanyl)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-methyl-6-(3-methylbutylsulfanyl)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-methyl-6-(3-methylbutylsulfanyl)pyridin-2-amine is CNc1nc(SCCC(C)C)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-methyl-6-(3-methylbutylsulfanyl)pyridin-2-amine?
The InChIKey is OGBMLPXNZIIDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2S/c1-7(2)4-5-16-11-9(13)6-8(12)10(14-3)15-11/h6-7H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 3,5-dichloro-N-methyl-6-(3-methylbutylsulfanyl)pyridin-2-amine?
3,5-dichloro-N-methyl-6-(3-methylbutylsulfanyl)pyridin-2-amine has a molecular weight of 279.24 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-methyl-6-(3-methylbutylsulfanyl)pyridin-2-amine is sourced from PubChem (CID 107765930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).