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

C7H13Cl2N3O2 — CID 3017019

IUPAC2,6-dimethoxypyridine-3,5-diamine;dihydrochloride
SMILESCOc1nc(OC)c(N)cc1N.Cl.Cl
InChIInChI=1S/C7H11N3O2.2ClH/c1-11-6-4(8)3-5(9)7(10-6)12-2;;/h3H,8-9H2,1-2H3;2*1H
InChIKeyWHKIQFYYHZPIBH-UHFFFAOYSA-N
MW242.11 g/mol
LogP1.11
Rot. Bonds2

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

2,6-dimethoxypyridine-3,5-diamine;dihydrochloride (PubChem CID 3017019) has the molecular formula C7H13Cl2N3O2 and a molecular weight of 242.11 g/mol. Its IUPAC name is 2,6-dimethoxypyridine-3,5-diamine;dihydrochloride.

Molecular Properties

Compound Name2,6-dimethoxypyridine-3,5-diamine;dihydrochloride
PubChem CID3017019
Molecular FormulaC7H13Cl2N3O2
Molecular Weight242.11 g/mol
Exact Mass241.04
IUPAC Name2,6-dimethoxypyridine-3,5-diamine;dihydrochloride
SMILESCOc1nc(OC)c(N)cc1N.Cl.Cl
InChIInChI=1S/C7H11N3O2.2ClH/c1-11-6-4(8)3-5(9)7(10-6)12-2;;/h3H,8-9H2,1-2H3;2*1H
InChIKeyWHKIQFYYHZPIBH-UHFFFAOYSA-N
XLogP1.11
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxypyridine-3,5-diamine;dihydrochloride?
The IUPAC name of 2,6-dimethoxypyridine-3,5-diamine;dihydrochloride (CID 3017019) is 2,6-dimethoxypyridine-3,5-diamine;dihydrochloride.
What is the SMILES notation for 2,6-dimethoxypyridine-3,5-diamine;dihydrochloride?
The canonical SMILES for 2,6-dimethoxypyridine-3,5-diamine;dihydrochloride is COc1nc(OC)c(N)cc1N.Cl.Cl.
What is the InChIKey of 2,6-dimethoxypyridine-3,5-diamine;dihydrochloride?
The InChIKey is WHKIQFYYHZPIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2.2ClH/c1-11-6-4(8)3-5(9)7(10-6)12-2;;/h3H,8-9H2,1-2H3;2*1H.
What are the key properties of 2,6-dimethoxypyridine-3,5-diamine;dihydrochloride?
2,6-dimethoxypyridine-3,5-diamine;dihydrochloride has a molecular weight of 242.11 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxypyridine-3,5-diamine;dihydrochloride is sourced from PubChem (CID 3017019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).