3,5-dichloro-2-N-methyl-6-N-(4-methylsulfanylphenyl)pyridine-2,6-diamine

C13H13Cl2N3S — CID 102754673

IUPAC3,5-dichloro-2-N-methyl-6-N-(4-methylsulfanylphenyl)pyridine-2,6-diamine
SMILESCNc1nc(Nc2ccc(SC)cc2)c(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2N3S/c1-16-12-10(14)7-11(15)13(18-12)17-8-3-5-9(19-2)6-4-8/h3-7H,1-2H3,(H2,16,17,18)
InChIKeyKSERAOOEZVRHQF-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.90
Rot. Bonds4

About 3,5-dichloro-2-N-methyl-6-N-(4-methylsulfanylphenyl)pyridine-2,6-diamine

3,5-dichloro-2-N-methyl-6-N-(4-methylsulfanylphenyl)pyridine-2,6-diamine (PubChem CID 102754673) has the molecular formula C13H13Cl2N3S and a molecular weight of 314.24 g/mol. Its IUPAC name is 3,5-dichloro-2-N-methyl-6-N-(4-methylsulfanylphenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-methyl-6-N-(4-methylsulfanylphenyl)pyridine-2,6-diamine
PubChem CID102754673
Molecular FormulaC13H13Cl2N3S
Molecular Weight314.24 g/mol
Exact Mass313.02
IUPAC Name3,5-dichloro-2-N-methyl-6-N-(4-methylsulfanylphenyl)pyridine-2,6-diamine
SMILESCNc1nc(Nc2ccc(SC)cc2)c(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2N3S/c1-16-12-10(14)7-11(15)13(18-12)17-8-3-5-9(19-2)6-4-8/h3-7H,1-2H3,(H2,16,17,18)
InChIKeyKSERAOOEZVRHQF-UHFFFAOYSA-N
XLogP4.90
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-2-N-methyl-6-N-thiophen-3-ylpyridine-2,6-diamine
CID 102758886
3,5-dichloro-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-methylpyridine-2,6-diamine
CID 102754992
3,5-dichloro-2-N-methyl-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine
CID 102758802
3,5-dichloro-6-(3,4-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine
CID 102761528
3,5-dichloro-N-(4-chlorophenyl)-6-hydrazinylpyridin-2-amine
CID 102762339
2-chloro-N-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 62336213
3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-methylpyridine-2,6-diamine
CID 102754522
6-chloro-2-cyclopropyl-5-methyl-N-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 80973859
6-N-(5-bromo-2-chlorophenyl)-3,5-dichloro-2-N-methylpyridine-2,6-diamine
CID 102758019
3,5-dichloro-6-N-(4-fluorophenyl)pyridine-2,6-diamine
CID 102755142
3,5,6-trichloro-N-(4-methoxyphenyl)pyridin-2-amine
CID 102749971
3,5-dichloro-6-N-(3,4-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102754928

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-N-methyl-6-N-(4-methylsulfanylphenyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-methyl-6-N-(4-methylsulfanylphenyl)pyridine-2,6-diamine (CID 102754673) is 3,5-dichloro-2-N-methyl-6-N-(4-methylsulfanylphenyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-methyl-6-N-(4-methylsulfanylphenyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-methyl-6-N-(4-methylsulfanylphenyl)pyridine-2,6-diamine is CNc1nc(Nc2ccc(SC)cc2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-N-methyl-6-N-(4-methylsulfanylphenyl)pyridine-2,6-diamine?
The InChIKey is KSERAOOEZVRHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3S/c1-16-12-10(14)7-11(15)13(18-12)17-8-3-5-9(19-2)6-4-8/h3-7H,1-2H3,(H2,16,17,18).
What are the key properties of 3,5-dichloro-2-N-methyl-6-N-(4-methylsulfanylphenyl)pyridine-2,6-diamine?
3,5-dichloro-2-N-methyl-6-N-(4-methylsulfanylphenyl)pyridine-2,6-diamine has a molecular weight of 314.24 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-N-methyl-6-N-(4-methylsulfanylphenyl)pyridine-2,6-diamine is sourced from PubChem (CID 102754673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).