2,6-dimethoxypyridine-3,5-diamine

C7H11N3O2 — CID 3017020

IUPAC2,6-dimethoxypyridine-3,5-diamine
SMILESCOc1nc(OC)c(N)cc1N
InChIInChI=1S/C7H11N3O2/c1-11-6-4(8)3-5(9)7(10-6)12-2/h3H,8-9H2,1-2H3
InChIKeyBXBOXUNPNIJELB-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.26
Rot. Bonds2

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

2,6-dimethoxypyridine-3,5-diamine (PubChem CID 3017020) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2,6-dimethoxypyridine-3,5-diamine.

Molecular Properties

Compound Name2,6-dimethoxypyridine-3,5-diamine
PubChem CID3017020
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2,6-dimethoxypyridine-3,5-diamine
SMILESCOc1nc(OC)c(N)cc1N
InChIInChI=1S/C7H11N3O2/c1-11-6-4(8)3-5(9)7(10-6)12-2/h3H,8-9H2,1-2H3
InChIKeyBXBOXUNPNIJELB-UHFFFAOYSA-N
XLogP0.26
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.26
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?
The IUPAC name of 2,6-dimethoxypyridine-3,5-diamine (CID 3017020) is 2,6-dimethoxypyridine-3,5-diamine.
What is the SMILES notation for 2,6-dimethoxypyridine-3,5-diamine?
The canonical SMILES for 2,6-dimethoxypyridine-3,5-diamine is COc1nc(OC)c(N)cc1N.
What is the InChIKey of 2,6-dimethoxypyridine-3,5-diamine?
The InChIKey is BXBOXUNPNIJELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-11-6-4(8)3-5(9)7(10-6)12-2/h3H,8-9H2,1-2H3.
What are the key properties of 2,6-dimethoxypyridine-3,5-diamine?
2,6-dimethoxypyridine-3,5-diamine has a molecular weight of 169.18 g/mol, XLogP of 0.26, 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 is sourced from PubChem (CID 3017020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).