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

C14H15Cl2N3S — CID 107647228

IUPAC3,5-dichloro-2-N-ethyl-6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine
SMILESCCNc1nc(Nc2ccccc2SC)c(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2N3S/c1-3-17-13-9(15)8-10(16)14(19-13)18-11-6-4-5-7-12(11)20-2/h4-8H,3H2,1-2H3,(H2,17,18,19)
InChIKeyAPKNTMXTNDXPDZ-UHFFFAOYSA-N
MW328.27 g/mol
LogP5.29
Rot. Bonds5

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

3,5-dichloro-2-N-ethyl-6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine (PubChem CID 107647228) has the molecular formula C14H15Cl2N3S and a molecular weight of 328.27 g/mol. Its IUPAC name is 3,5-dichloro-2-N-ethyl-6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-ethyl-6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine
PubChem CID107647228
Molecular FormulaC14H15Cl2N3S
Molecular Weight328.27 g/mol
Exact Mass327.04
IUPAC Name3,5-dichloro-2-N-ethyl-6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine
SMILESCCNc1nc(Nc2ccccc2SC)c(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2N3S/c1-3-17-13-9(15)8-10(16)14(19-13)18-11-6-4-5-7-12(11)20-2/h4-8H,3H2,1-2H3,(H2,17,18,19)
InChIKeyAPKNTMXTNDXPDZ-UHFFFAOYSA-N
XLogP5.29
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.27
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102754524
3,5-dichloro-6-N-(2-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 102755165
6-N,5-diethyl-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine
CID 107647171
3,5-dichloro-6-N-(2-chloro-4-iodophenyl)-2-N-ethylpyridine-2,6-diamine
CID 107604767
6-N-(2-bromo-4-chlorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine
CID 102759236
3,5-dichloro-6-N-(2,5-dibromophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102756861
3,5-dichloro-6-N-(3,4-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102754928
6-N-(2-bromophenyl)-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102755127
6-N-ethyl-5-methoxy-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine
CID 107647224
3,5-dichloro-2-N-ethyl-6-N-(4-methylsulfanylbutyl)pyridine-2,6-diamine
CID 102759914
3,5-dichloro-2-N-ethyl-6-N-(2-methoxy-5-methylphenyl)pyridine-2,6-diamine
CID 102754963
3-bromo-4-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile
CID 107795168

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine (CID 107647228) is 3,5-dichloro-2-N-ethyl-6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-ethyl-6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-ethyl-6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine is CCNc1nc(Nc2ccccc2SC)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-N-ethyl-6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine?
The InChIKey is APKNTMXTNDXPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3S/c1-3-17-13-9(15)8-10(16)14(19-13)18-11-6-4-5-7-12(11)20-2/h4-8H,3H2,1-2H3,(H2,17,18,19).
What are the key properties of 3,5-dichloro-2-N-ethyl-6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine?
3,5-dichloro-2-N-ethyl-6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine has a molecular weight of 328.27 g/mol, XLogP of 5.29, 5 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-(2-methylsulfanylphenyl)pyridine-2,6-diamine is sourced from PubChem (CID 107647228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).