3,5-dichloro-2-N-ethyl-6-N-(4-methylsulfanylbutyl)pyridine-2,6-diamine

C12H19Cl2N3S — CID 102759914

IUPAC3,5-dichloro-2-N-ethyl-6-N-(4-methylsulfanylbutyl)pyridine-2,6-diamine
SMILESCCNc1nc(NCCCCSC)c(Cl)cc1Cl
InChIInChI=1S/C12H19Cl2N3S/c1-3-15-11-9(13)8-10(14)12(17-11)16-6-4-5-7-18-2/h8H,3-7H2,1-2H3,(H2,15,16,17)
InChIKeyXRHMMUPDLZHHCK-UHFFFAOYSA-N
MW308.28 g/mol
LogP4.38
Rot. Bonds8

About 3,5-dichloro-2-N-ethyl-6-N-(4-methylsulfanylbutyl)pyridine-2,6-diamine

3,5-dichloro-2-N-ethyl-6-N-(4-methylsulfanylbutyl)pyridine-2,6-diamine (PubChem CID 102759914) has the molecular formula C12H19Cl2N3S and a molecular weight of 308.28 g/mol. Its IUPAC name is 3,5-dichloro-2-N-ethyl-6-N-(4-methylsulfanylbutyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-ethyl-6-N-(4-methylsulfanylbutyl)pyridine-2,6-diamine
PubChem CID102759914
Molecular FormulaC12H19Cl2N3S
Molecular Weight308.28 g/mol
Exact Mass307.07
IUPAC Name3,5-dichloro-2-N-ethyl-6-N-(4-methylsulfanylbutyl)pyridine-2,6-diamine
SMILESCCNc1nc(NCCCCSC)c(Cl)cc1Cl
InChIInChI=1S/C12H19Cl2N3S/c1-3-15-11-9(13)8-10(14)12(17-11)16-6-4-5-7-18-2/h8H,3-7H2,1-2H3,(H2,15,16,17)
InChIKeyXRHMMUPDLZHHCK-UHFFFAOYSA-N
XLogP4.38
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-2-N-ethyl-6-N-[4-(2-methoxyethoxy)butyl]pyridine-2,6-diamine
CID 102759816
N-[3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propyl]methanesulfonamide
CID 106332346
3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine
CID 102759054
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
3,5,6-trichloro-N-decylpyridin-2-amine
CID 102751515
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
CID 114267273
3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine
CID 102757675
6-N-ethyl-2-methylsulfanyl-4-N-(4-methylsulfanylbutyl)pyrimidine-4,6-diamine
CID 113488426
3,5-dichloro-2-N-ethyl-6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine
CID 107647228
3,5-dichloro-N-ethyl-6-methylpyridin-2-amine
CID 102753093
3,5-dichloro-2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine
CID 102757956
3,5-dichloro-6-N-ethylpyridine-2,6-diamine
CID 102755516

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-(4-methylsulfanylbutyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-(4-methylsulfanylbutyl)pyridine-2,6-diamine (CID 102759914) is 3,5-dichloro-2-N-ethyl-6-N-(4-methylsulfanylbutyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-ethyl-6-N-(4-methylsulfanylbutyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-ethyl-6-N-(4-methylsulfanylbutyl)pyridine-2,6-diamine is CCNc1nc(NCCCCSC)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-N-ethyl-6-N-(4-methylsulfanylbutyl)pyridine-2,6-diamine?
The InChIKey is XRHMMUPDLZHHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Cl2N3S/c1-3-15-11-9(13)8-10(14)12(17-11)16-6-4-5-7-18-2/h8H,3-7H2,1-2H3,(H2,15,16,17).
What are the key properties of 3,5-dichloro-2-N-ethyl-6-N-(4-methylsulfanylbutyl)pyridine-2,6-diamine?
3,5-dichloro-2-N-ethyl-6-N-(4-methylsulfanylbutyl)pyridine-2,6-diamine has a molecular weight of 308.28 g/mol, XLogP of 4.38, 8 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-ethyl-6-N-(4-methylsulfanylbutyl)pyridine-2,6-diamine is sourced from PubChem (CID 102759914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).