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

C13H19Cl2N3 — CID 102755663

IUPAC3,5-dichloro-6-N-(2,3-dimethylcyclohexyl)pyridine-2,6-diamine
SMILESCC1CCCC(Nc2nc(N)c(Cl)cc2Cl)C1C
InChIInChI=1S/C13H19Cl2N3/c1-7-4-3-5-11(8(7)2)17-13-10(15)6-9(14)12(16)18-13/h6-8,11H,3-5H2,1-2H3,(H3,16,17,18)
InChIKeyJNCZWUFOQBSYNK-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.21
Rot. Bonds2

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

3,5-dichloro-6-N-(2,3-dimethylcyclohexyl)pyridine-2,6-diamine (PubChem CID 102755663) has the molecular formula C13H19Cl2N3 and a molecular weight of 288.22 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(2,3-dimethylcyclohexyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(2,3-dimethylcyclohexyl)pyridine-2,6-diamine
PubChem CID102755663
Molecular FormulaC13H19Cl2N3
Molecular Weight288.22 g/mol
Exact Mass287.10
IUPAC Name3,5-dichloro-6-N-(2,3-dimethylcyclohexyl)pyridine-2,6-diamine
SMILESCC1CCCC(Nc2nc(N)c(Cl)cc2Cl)C1C
InChIInChI=1S/C13H19Cl2N3/c1-7-4-3-5-11(8(7)2)17-13-10(15)6-9(14)12(16)18-13/h6-8,11H,3-5H2,1-2H3,(H3,16,17,18)
InChIKeyJNCZWUFOQBSYNK-UHFFFAOYSA-N
XLogP4.21
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-N-(2,3-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
CID 80777437
2-chloro-4-N-(2,3-dimethylcyclohexyl)-6-methylpyrimidine-4,5-diamine
CID 114043533
2-chloro-1-N-(2,3-dimethylcyclohexyl)benzene-1,4-diamine
CID 43115465
5-bromo-4-N-(2,3-dimethylcyclohexyl)pyrimidine-4,6-diamine
CID 114071933
2-chloro-N-(2,3-dimethylcyclohexyl)-5-methylpyrimidin-4-amine
CID 79075440
3,5-dichloro-6-N-(2-methylcyclohexyl)-2-N-propylpyridine-2,6-diamine
CID 102755687
4-N-(2,3-dimethylcyclohexyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80944187
3,5-dichloro-N-(2-methylcyclopentyl)pyridin-2-amine
CID 63281875
4-N-(2,3-dimethylcyclohexyl)-5-propylpyrimidine-4,6-diamine
CID 80778398
5-chloro-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine
CID 80847184
3,5-dichloro-6-N-(3-methylsulfanylcyclopentyl)pyridine-2,6-diamine
CID 114124115
3,5-dichloro-6-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,6-diamine
CID 102759574

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(2,3-dimethylcyclohexyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(2,3-dimethylcyclohexyl)pyridine-2,6-diamine (CID 102755663) is 3,5-dichloro-6-N-(2,3-dimethylcyclohexyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(2,3-dimethylcyclohexyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(2,3-dimethylcyclohexyl)pyridine-2,6-diamine is CC1CCCC(Nc2nc(N)c(Cl)cc2Cl)C1C.
What is the InChIKey of 3,5-dichloro-6-N-(2,3-dimethylcyclohexyl)pyridine-2,6-diamine?
The InChIKey is JNCZWUFOQBSYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3/c1-7-4-3-5-11(8(7)2)17-13-10(15)6-9(14)12(16)18-13/h6-8,11H,3-5H2,1-2H3,(H3,16,17,18).
What are the key properties of 3,5-dichloro-6-N-(2,3-dimethylcyclohexyl)pyridine-2,6-diamine?
3,5-dichloro-6-N-(2,3-dimethylcyclohexyl)pyridine-2,6-diamine has a molecular weight of 288.22 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-(2,3-dimethylcyclohexyl)pyridine-2,6-diamine is sourced from PubChem (CID 102755663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).