3,5-diethoxypyridine-2,6-diamine;dihydrochloride

C9H17Cl2N3O2 — CID 70442489

IUPAC3,5-diethoxypyridine-2,6-diamine;dihydrochloride
SMILESCCOc1cc(OCC)c(N)nc1N.Cl.Cl
InChIInChI=1S/C9H15N3O2.2ClH/c1-3-13-6-5-7(14-4-2)9(11)12-8(6)10;;/h5H,3-4H2,1-2H3,(H4,10,11,12);2*1H
InChIKeyNPKZLPYPEOAWTO-UHFFFAOYSA-N
MW270.16 g/mol
LogP1.89
Rot. Bonds4

About 3,5-diethoxypyridine-2,6-diamine;dihydrochloride

3,5-diethoxypyridine-2,6-diamine;dihydrochloride (PubChem CID 70442489) has the molecular formula C9H17Cl2N3O2 and a molecular weight of 270.16 g/mol. Its IUPAC name is 3,5-diethoxypyridine-2,6-diamine;dihydrochloride.

Molecular Properties

Compound Name3,5-diethoxypyridine-2,6-diamine;dihydrochloride
PubChem CID70442489
Molecular FormulaC9H17Cl2N3O2
Molecular Weight270.16 g/mol
Exact Mass269.07
IUPAC Name3,5-diethoxypyridine-2,6-diamine;dihydrochloride
SMILESCCOc1cc(OCC)c(N)nc1N.Cl.Cl
InChIInChI=1S/C9H15N3O2.2ClH/c1-3-13-6-5-7(14-4-2)9(11)12-8(6)10;;/h5H,3-4H2,1-2H3,(H4,10,11,12);2*1H
InChIKeyNPKZLPYPEOAWTO-UHFFFAOYSA-N
XLogP1.89
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethoxypyridine-2,6-diamine;dihydrochloride?
The IUPAC name of 3,5-diethoxypyridine-2,6-diamine;dihydrochloride (CID 70442489) is 3,5-diethoxypyridine-2,6-diamine;dihydrochloride.
What is the SMILES notation for 3,5-diethoxypyridine-2,6-diamine;dihydrochloride?
The canonical SMILES for 3,5-diethoxypyridine-2,6-diamine;dihydrochloride is CCOc1cc(OCC)c(N)nc1N.Cl.Cl.
What is the InChIKey of 3,5-diethoxypyridine-2,6-diamine;dihydrochloride?
The InChIKey is NPKZLPYPEOAWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2.2ClH/c1-3-13-6-5-7(14-4-2)9(11)12-8(6)10;;/h5H,3-4H2,1-2H3,(H4,10,11,12);2*1H.
What are the key properties of 3,5-diethoxypyridine-2,6-diamine;dihydrochloride?
3,5-diethoxypyridine-2,6-diamine;dihydrochloride has a molecular weight of 270.16 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethoxypyridine-2,6-diamine;dihydrochloride is sourced from PubChem (CID 70442489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).