3,5-dichloro-2-N-ethyl-6-N-[4-(2-methoxyethoxy)butyl]pyridine-2,6-diamine

C14H23Cl2N3O2 — CID 102759816

IUPAC3,5-dichloro-2-N-ethyl-6-N-[4-(2-methoxyethoxy)butyl]pyridine-2,6-diamine
SMILESCCNc1nc(NCCCCOCCOC)c(Cl)cc1Cl
InChIInChI=1S/C14H23Cl2N3O2/c1-3-17-13-11(15)10-12(16)14(19-13)18-6-4-5-7-21-9-8-20-2/h10H,3-9H2,1-2H3,(H2,17,18,19)
InChIKeyBXAROVXHAYMOGN-UHFFFAOYSA-N
MW336.26 g/mol
LogP3.68
Rot. Bonds11

About 3,5-dichloro-2-N-ethyl-6-N-[4-(2-methoxyethoxy)butyl]pyridine-2,6-diamine

3,5-dichloro-2-N-ethyl-6-N-[4-(2-methoxyethoxy)butyl]pyridine-2,6-diamine (PubChem CID 102759816) has the molecular formula C14H23Cl2N3O2 and a molecular weight of 336.26 g/mol. Its IUPAC name is 3,5-dichloro-2-N-ethyl-6-N-[4-(2-methoxyethoxy)butyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-ethyl-6-N-[4-(2-methoxyethoxy)butyl]pyridine-2,6-diamine
PubChem CID102759816
Molecular FormulaC14H23Cl2N3O2
Molecular Weight336.26 g/mol
Exact Mass335.12
IUPAC Name3,5-dichloro-2-N-ethyl-6-N-[4-(2-methoxyethoxy)butyl]pyridine-2,6-diamine
SMILESCCNc1nc(NCCCCOCCOC)c(Cl)cc1Cl
InChIInChI=1S/C14H23Cl2N3O2/c1-3-17-13-11(15)10-12(16)14(19-13)18-6-4-5-7-21-9-8-20-2/h10H,3-9H2,1-2H3,(H2,17,18,19)
InChIKeyBXAROVXHAYMOGN-UHFFFAOYSA-N
XLogP3.68
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-6-[3-(2-methoxyethoxy)propoxy]-N-propylpyridin-2-amine
CID 103408318
3,5-dichloro-6-hydrazinyl-N-(4-methoxybutyl)pyridin-2-amine
CID 102761891
3,5-dichloro-2-N-ethyl-6-N-(4-methylsulfanylbutyl)pyridine-2,6-diamine
CID 102759914
6-(2-butoxyethoxy)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102760364
3,5,6-trichloro-N-(3-propoxypropyl)pyridin-2-amine
CID 102751695
3,5-dichloro-6-N-(3-ethoxypropyl)-2-N-methylpyridine-2,6-diamine
CID 102755734
N-[3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propyl]methanesulfonamide
CID 106332346
2,5-dichloro-N-(4-methoxybutyl)pyrimidin-4-amine
CID 79633123
4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine
CID 115749068
3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine
CID 102759054
6-chloro-N-[4-(2-methoxyethoxy)butyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102716177
6-chloro-2-N-[3-(2-methoxyethoxy)propyl]pyridine-2,3-diamine
CID 114097569

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-[4-(2-methoxyethoxy)butyl]pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-[4-(2-methoxyethoxy)butyl]pyridine-2,6-diamine (CID 102759816) is 3,5-dichloro-2-N-ethyl-6-N-[4-(2-methoxyethoxy)butyl]pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-ethyl-6-N-[4-(2-methoxyethoxy)butyl]pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-ethyl-6-N-[4-(2-methoxyethoxy)butyl]pyridine-2,6-diamine is CCNc1nc(NCCCCOCCOC)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-N-ethyl-6-N-[4-(2-methoxyethoxy)butyl]pyridine-2,6-diamine?
The InChIKey is BXAROVXHAYMOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23Cl2N3O2/c1-3-17-13-11(15)10-12(16)14(19-13)18-6-4-5-7-21-9-8-20-2/h10H,3-9H2,1-2H3,(H2,17,18,19).
What are the key properties of 3,5-dichloro-2-N-ethyl-6-N-[4-(2-methoxyethoxy)butyl]pyridine-2,6-diamine?
3,5-dichloro-2-N-ethyl-6-N-[4-(2-methoxyethoxy)butyl]pyridine-2,6-diamine has a molecular weight of 336.26 g/mol, XLogP of 3.68, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-N-ethyl-6-N-[4-(2-methoxyethoxy)butyl]pyridine-2,6-diamine is sourced from PubChem (CID 102759816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).