5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine

C10H14Cl2N2S — CID 112663600

IUPAC5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
SMILESCSCCN(C)c1ccc(Cl)c(CCl)n1
InChIInChI=1S/C10H14Cl2N2S/c1-14(5-6-15-2)10-4-3-8(12)9(7-11)13-10/h3-4H,5-7H2,1-2H3
InChIKeyOIQYKYJBEHAFSA-UHFFFAOYSA-N
MW265.21 g/mol
LogP3.27
Rot. Bonds5

About 5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine

5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine (PubChem CID 112663600) has the molecular formula C10H14Cl2N2S and a molecular weight of 265.21 g/mol. Its IUPAC name is 5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
PubChem CID112663600
Molecular FormulaC10H14Cl2N2S
Molecular Weight265.21 g/mol
Exact Mass264.03
IUPAC Name5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
SMILESCSCCN(C)c1ccc(Cl)c(CCl)n1
InChIInChI=1S/C10H14Cl2N2S/c1-14(5-6-15-2)10-4-3-8(12)9(7-11)13-10/h3-4H,5-7H2,1-2H3
InChIKeyOIQYKYJBEHAFSA-UHFFFAOYSA-N
XLogP3.27
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 79850485
5-chloro-6-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 61257415
6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 112663611
5-chloro-6-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 61411674
5-(aminomethyl)-N,6-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 112665261
4,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)-1,3,5-triazin-2-amine
CID 112663047
4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112667653
5-chloro-6-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 63446127
N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699861
N-butyl-5-chloro-N-methyl-6-(methylaminomethyl)pyridin-2-amine
CID 62285649
N-butan-2-yl-N-butyl-5-chloro-6-(chloromethyl)pyridin-2-amine
CID 55197665
5-chloro-6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 55009039

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine (CID 112663600) is 5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine is CSCCN(C)c1ccc(Cl)c(CCl)n1.
What is the InChIKey of 5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
The InChIKey is OIQYKYJBEHAFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2S/c1-14(5-6-15-2)10-4-3-8(12)9(7-11)13-10/h3-4H,5-7H2,1-2H3.
What are the key properties of 5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine has a molecular weight of 265.21 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine is sourced from PubChem (CID 112663600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).