3,5-dichloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpyridin-2-amine

C13H13Cl2N3S — CID 102926978

IUPAC3,5-dichloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpyridin-2-amine
SMILESCNc1nc(Sc2cc(C)cc(C)n2)c(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2N3S/c1-7-4-8(2)17-11(5-7)19-13-10(15)6-9(14)12(16-3)18-13/h4-6H,1-3H3,(H,16,18)
InChIKeyNKBJHXQIEVVFDK-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.59
Rot. Bonds3

About 3,5-dichloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpyridin-2-amine

3,5-dichloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpyridin-2-amine (PubChem CID 102926978) has the molecular formula C13H13Cl2N3S and a molecular weight of 314.24 g/mol. Its IUPAC name is 3,5-dichloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpyridin-2-amine
PubChem CID102926978
Molecular FormulaC13H13Cl2N3S
Molecular Weight314.24 g/mol
Exact Mass313.02
IUPAC Name3,5-dichloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpyridin-2-amine
SMILESCNc1nc(Sc2cc(C)cc(C)n2)c(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2N3S/c1-7-4-8(2)17-11(5-7)19-13-10(15)6-9(14)12(16-3)18-13/h4-6H,1-3H3,(H,16,18)
InChIKeyNKBJHXQIEVVFDK-UHFFFAOYSA-N
XLogP4.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrimidin-2-yl]hydrazine
CID 102927134
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 102927033
3,5-dichloro-6-(3,4-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine
CID 102761528
3,5-dichloro-N-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine
CID 102761461
3,5-dichloro-N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-2-amine
CID 102761591
3,5-dichloro-N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine
CID 102761241
4-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidine
CID 102925184
3,5-dichloro-N-methyl-6-(3-methylbutylsulfanyl)pyridin-2-amine
CID 107765930
3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine
CID 102761495
3,5-dichloro-N-methyl-6-(4-nitrophenyl)sulfanylpyridin-2-amine
CID 102761369
[3,5-dichloro-6-(5-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]hydrazine
CID 102763276
4-chloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylaniline
CID 112740978

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpyridin-2-amine (CID 102926978) is 3,5-dichloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpyridin-2-amine is CNc1nc(Sc2cc(C)cc(C)n2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpyridin-2-amine?
The InChIKey is NKBJHXQIEVVFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3S/c1-7-4-8(2)17-11(5-7)19-13-10(15)6-9(14)12(16-3)18-13/h4-6H,1-3H3,(H,16,18).
What are the key properties of 3,5-dichloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpyridin-2-amine?
3,5-dichloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpyridin-2-amine has a molecular weight of 314.24 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 102926978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).