6-chloro-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,3-diamine

C11H18ClN3S — CID 112656901

IUPAC6-chloro-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,3-diamine
SMILESCCC(CSC)N(C)c1nc(Cl)ccc1N
InChIInChI=1S/C11H18ClN3S/c1-4-8(7-16-3)15(2)11-9(13)5-6-10(12)14-11/h5-6,8H,4,7,13H2,1-3H3
InChIKeyVWUYIOMGLDQHPS-UHFFFAOYSA-N
MW259.81 g/mol
LogP2.89
Rot. Bonds5

About 6-chloro-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,3-diamine

6-chloro-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,3-diamine (PubChem CID 112656901) has the molecular formula C11H18ClN3S and a molecular weight of 259.81 g/mol. Its IUPAC name is 6-chloro-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,3-diamine
PubChem CID112656901
Molecular FormulaC11H18ClN3S
Molecular Weight259.81 g/mol
Exact Mass259.09
IUPAC Name6-chloro-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,3-diamine
SMILESCCC(CSC)N(C)c1nc(Cl)ccc1N
InChIInChI=1S/C11H18ClN3S/c1-4-8(7-16-3)15(2)11-9(13)5-6-10(12)14-11/h5-6,8H,4,7,13H2,1-3H3
InChIKeyVWUYIOMGLDQHPS-UHFFFAOYSA-N
XLogP2.89
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.81
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,4-diamine
CID 104925205
5-chloro-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine
CID 112667834
N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 106993912
3-(aminomethyl)-N,6-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 112657243
3,5-dichloro-6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 102762521
3-chloro-1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)benzene-1,2-diamine
CID 104834825
4-fluoro-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)benzene-1,2-diamine
CID 112656941
6-chloro-N,4,5-trimethyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine
CID 112663140
6-chloro-2-N,2-N-bis(2-methylpropyl)pyridine-2,3-diamine
CID 113316760
5-chloro-3-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 112551382
2-chloro-4-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]aniline
CID 112661035
4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772794

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,3-diamine (CID 112656901) is 6-chloro-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,3-diamine is CCC(CSC)N(C)c1nc(Cl)ccc1N.
What is the InChIKey of 6-chloro-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,3-diamine?
The InChIKey is VWUYIOMGLDQHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3S/c1-4-8(7-16-3)15(2)11-9(13)5-6-10(12)14-11/h5-6,8H,4,7,13H2,1-3H3.
What are the key properties of 6-chloro-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,3-diamine?
6-chloro-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,3-diamine has a molecular weight of 259.81 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,3-diamine is sourced from PubChem (CID 112656901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).