3,5-dichloro-2-N-ethyl-6-N-(4-methyloxan-4-yl)pyridine-2,6-diamine

C13H19Cl2N3O — CID 102759935

IUPAC3,5-dichloro-2-N-ethyl-6-N-(4-methyloxan-4-yl)pyridine-2,6-diamine
SMILESCCNc1nc(NC2(C)CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N3O/c1-3-16-11-9(14)8-10(15)12(17-11)18-13(2)4-6-19-7-5-13/h8H,3-7H2,1-2H3,(H2,16,17,18)
InChIKeyZTOAWNBDJQMGAO-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.80
Rot. Bonds4

About 3,5-dichloro-2-N-ethyl-6-N-(4-methyloxan-4-yl)pyridine-2,6-diamine

3,5-dichloro-2-N-ethyl-6-N-(4-methyloxan-4-yl)pyridine-2,6-diamine (PubChem CID 102759935) has the molecular formula C13H19Cl2N3O and a molecular weight of 304.22 g/mol. Its IUPAC name is 3,5-dichloro-2-N-ethyl-6-N-(4-methyloxan-4-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-ethyl-6-N-(4-methyloxan-4-yl)pyridine-2,6-diamine
PubChem CID102759935
Molecular FormulaC13H19Cl2N3O
Molecular Weight304.22 g/mol
Exact Mass303.09
IUPAC Name3,5-dichloro-2-N-ethyl-6-N-(4-methyloxan-4-yl)pyridine-2,6-diamine
SMILESCCNc1nc(NC2(C)CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N3O/c1-3-16-11-9(14)8-10(15)12(17-11)18-13(2)4-6-19-7-5-13/h8H,3-7H2,1-2H3,(H2,16,17,18)
InChIKeyZTOAWNBDJQMGAO-UHFFFAOYSA-N
XLogP3.80
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-ethyl-6-morpholin-4-ylpyridin-2-amine
CID 102755300
3,5-dichloro-N-ethyl-6-(oxan-4-ylmethoxy)pyridin-2-amine
CID 102760933
3,5-dichloro-6-N-(1-methylcyclopropyl)pyridine-2,6-diamine
CID 102759897
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
6-N-ethyl-4-N-(4-methyloxan-4-yl)pyrimidine-2,4,6-triamine
CID 113491377
3,5-dichloro-6-N-(1,4-dioxan-2-ylmethyl)-2-N-ethylpyridine-2,6-diamine
CID 102756439
3,5-dichloro-6-N-(3,3-dimethylcyclohexyl)-2-N-ethylpyridine-2,6-diamine
CID 102759264
3,5-dichloro-N-ethyl-6-(oxetan-3-ylsulfanyl)pyridin-2-amine
CID 102761558
3,5-dichloro-N-ethyl-6-methylpyridin-2-amine
CID 102753093
3,5-dichloro-2-N-ethyl-6-N-[1-(oxolan-3-yl)ethyl]pyridine-2,6-diamine
CID 102760091
3,5-dichloro-6-N-ethylpyridine-2,6-diamine
CID 102755516
3,5-dichloro-2-N-ethyl-6-N-pentan-2-ylpyridine-2,6-diamine
CID 102755564

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-(4-methyloxan-4-yl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-(4-methyloxan-4-yl)pyridine-2,6-diamine (CID 102759935) is 3,5-dichloro-2-N-ethyl-6-N-(4-methyloxan-4-yl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-ethyl-6-N-(4-methyloxan-4-yl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-ethyl-6-N-(4-methyloxan-4-yl)pyridine-2,6-diamine is CCNc1nc(NC2(C)CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-N-ethyl-6-N-(4-methyloxan-4-yl)pyridine-2,6-diamine?
The InChIKey is ZTOAWNBDJQMGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O/c1-3-16-11-9(14)8-10(15)12(17-11)18-13(2)4-6-19-7-5-13/h8H,3-7H2,1-2H3,(H2,16,17,18).
What are the key properties of 3,5-dichloro-2-N-ethyl-6-N-(4-methyloxan-4-yl)pyridine-2,6-diamine?
3,5-dichloro-2-N-ethyl-6-N-(4-methyloxan-4-yl)pyridine-2,6-diamine has a molecular weight of 304.22 g/mol, XLogP of 3.80, 4 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-(4-methyloxan-4-yl)pyridine-2,6-diamine is sourced from PubChem (CID 102759935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).