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

C11H15Cl2N3S — CID 114124115

IUPAC3,5-dichloro-6-N-(3-methylsulfanylcyclopentyl)pyridine-2,6-diamine
SMILESCSC1CCC(Nc2nc(N)c(Cl)cc2Cl)C1
InChIInChI=1S/C11H15Cl2N3S/c1-17-7-3-2-6(4-7)15-11-9(13)5-8(12)10(14)16-11/h5-7H,2-4H2,1H3,(H3,14,15,16)
InChIKeyOAVSQAHOTUVRPU-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.67
Rot. Bonds3

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

3,5-dichloro-6-N-(3-methylsulfanylcyclopentyl)pyridine-2,6-diamine (PubChem CID 114124115) has the molecular formula C11H15Cl2N3S and a molecular weight of 292.24 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(3-methylsulfanylcyclopentyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(3-methylsulfanylcyclopentyl)pyridine-2,6-diamine
PubChem CID114124115
Molecular FormulaC11H15Cl2N3S
Molecular Weight292.24 g/mol
Exact Mass291.04
IUPAC Name3,5-dichloro-6-N-(3-methylsulfanylcyclopentyl)pyridine-2,6-diamine
SMILESCSC1CCC(Nc2nc(N)c(Cl)cc2Cl)C1
InChIInChI=1S/C11H15Cl2N3S/c1-17-7-3-2-6(4-7)15-11-9(13)5-8(12)10(14)16-11/h5-7H,2-4H2,1H3,(H3,14,15,16)
InChIKeyOAVSQAHOTUVRPU-UHFFFAOYSA-N
XLogP3.67
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-6-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,6-diamine
CID 102759574
6-chloro-2-cyclopropyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine
CID 103880252
2-cyclopropyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine
CID 114124123
6-chloro-5-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-ylpyrimidin-4-amine
CID 114123821
2-chloro-N-(3-methylsulfanylcyclopentyl)-7H-purin-6-amine
CID 114123831
3-methyl-N-(3-methylsulfanylcyclopentyl)quinoxalin-2-amine
CID 103704143
3,5-dichloro-6-N-(2,3-dimethylcyclohexyl)pyridine-2,6-diamine
CID 102755663
6-chloro-N-(3-methylsulfanylcyclopentyl)-5-propylpyrimidin-4-amine
CID 114123827
3-chloro-5,6-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrazin-2-amine
CID 114123728
3,5-dichloro-6-N-(1-methylcyclopropyl)pyridine-2,6-diamine
CID 102759897
3,5,6-trichloro-N-cyclopentylpyridin-2-amine
CID 102750169
3,5,6-trichloro-N-(4-ethylcyclohexyl)pyridin-2-amine
CID 102750636

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(3-methylsulfanylcyclopentyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(3-methylsulfanylcyclopentyl)pyridine-2,6-diamine (CID 114124115) is 3,5-dichloro-6-N-(3-methylsulfanylcyclopentyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(3-methylsulfanylcyclopentyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(3-methylsulfanylcyclopentyl)pyridine-2,6-diamine is CSC1CCC(Nc2nc(N)c(Cl)cc2Cl)C1.
What is the InChIKey of 3,5-dichloro-6-N-(3-methylsulfanylcyclopentyl)pyridine-2,6-diamine?
The InChIKey is OAVSQAHOTUVRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3S/c1-17-7-3-2-6(4-7)15-11-9(13)5-8(12)10(14)16-11/h5-7H,2-4H2,1H3,(H3,14,15,16).
What are the key properties of 3,5-dichloro-6-N-(3-methylsulfanylcyclopentyl)pyridine-2,6-diamine?
3,5-dichloro-6-N-(3-methylsulfanylcyclopentyl)pyridine-2,6-diamine has a molecular weight of 292.24 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-(3-methylsulfanylcyclopentyl)pyridine-2,6-diamine is sourced from PubChem (CID 114124115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).