3,5-dichloro-6-N-(3-ethoxypropyl)-2-N-methylpyridine-2,6-diamine

C11H17Cl2N3O — CID 102755734

IUPAC3,5-dichloro-6-N-(3-ethoxypropyl)-2-N-methylpyridine-2,6-diamine
SMILESCCOCCCNc1nc(NC)c(Cl)cc1Cl
InChIInChI=1S/C11H17Cl2N3O/c1-3-17-6-4-5-15-11-9(13)7-8(12)10(14-2)16-11/h7H,3-6H2,1-2H3,(H2,14,15,16)
InChIKeyRTKMXZZGJYXZIC-UHFFFAOYSA-N
MW278.18 g/mol
LogP3.27
Rot. Bonds7

About 3,5-dichloro-6-N-(3-ethoxypropyl)-2-N-methylpyridine-2,6-diamine

3,5-dichloro-6-N-(3-ethoxypropyl)-2-N-methylpyridine-2,6-diamine (PubChem CID 102755734) has the molecular formula C11H17Cl2N3O and a molecular weight of 278.18 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(3-ethoxypropyl)-2-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(3-ethoxypropyl)-2-N-methylpyridine-2,6-diamine
PubChem CID102755734
Molecular FormulaC11H17Cl2N3O
Molecular Weight278.18 g/mol
Exact Mass277.07
IUPAC Name3,5-dichloro-6-N-(3-ethoxypropyl)-2-N-methylpyridine-2,6-diamine
SMILESCCOCCCNc1nc(NC)c(Cl)cc1Cl
InChIInChI=1S/C11H17Cl2N3O/c1-3-17-6-4-5-15-11-9(13)7-8(12)10(14-2)16-11/h7H,3-6H2,1-2H3,(H2,14,15,16)
InChIKeyRTKMXZZGJYXZIC-UHFFFAOYSA-N
XLogP3.27
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine
CID 102759054
3,5,6-trichloro-N-(3-propoxypropyl)pyridin-2-amine
CID 102751695
3,5-dichloro-2-N-methyl-6-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2,6-diamine
CID 102757677
3,5-dichloro-6-N-[2-(dimethylamino)ethyl]-2-N-methylpyridine-2,6-diamine
CID 102755513
4-N-(3-ethoxypropyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80771977
3,5-dichloro-2-N-ethyl-6-N-[4-(2-methoxyethoxy)butyl]pyridine-2,6-diamine
CID 102759816
4-N-(3-ethoxypropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981884
6-butoxy-3,5-dichloro-N-methylpyridin-2-amine
CID 102760529
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
CID 114267273
3,5-dichloro-2-N-methyl-6-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,6-diamine
CID 114188400
3,5-dichloro-6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-N-methylpyridine-2,6-diamine
CID 102760138
4-chloro-N-(3-ethoxypropyl)-1,2,5-thiadiazol-3-amine
CID 43808242

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(3-ethoxypropyl)-2-N-methylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(3-ethoxypropyl)-2-N-methylpyridine-2,6-diamine (CID 102755734) is 3,5-dichloro-6-N-(3-ethoxypropyl)-2-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(3-ethoxypropyl)-2-N-methylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(3-ethoxypropyl)-2-N-methylpyridine-2,6-diamine is CCOCCCNc1nc(NC)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-(3-ethoxypropyl)-2-N-methylpyridine-2,6-diamine?
The InChIKey is RTKMXZZGJYXZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2N3O/c1-3-17-6-4-5-15-11-9(13)7-8(12)10(14-2)16-11/h7H,3-6H2,1-2H3,(H2,14,15,16).
What are the key properties of 3,5-dichloro-6-N-(3-ethoxypropyl)-2-N-methylpyridine-2,6-diamine?
3,5-dichloro-6-N-(3-ethoxypropyl)-2-N-methylpyridine-2,6-diamine has a molecular weight of 278.18 g/mol, XLogP of 3.27, 7 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-ethoxypropyl)-2-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 102755734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).