6-(oxan-2-ylmethoxy)pyridine-2,3-diamine

C11H17N3O2 — CID 79827597

IUPAC6-(oxan-2-ylmethoxy)pyridine-2,3-diamine
SMILESNc1ccc(OCC2CCCCO2)nc1N
InChIInChI=1S/C11H17N3O2/c12-9-4-5-10(14-11(9)13)16-7-8-3-1-2-6-15-8/h4-5,8H,1-3,6-7,12H2,(H2,13,14)
InChIKeyBLHWITCJMOKOTB-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.19
Rot. Bonds3

About 6-(oxan-2-ylmethoxy)pyridine-2,3-diamine

6-(oxan-2-ylmethoxy)pyridine-2,3-diamine (PubChem CID 79827597) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-(oxan-2-ylmethoxy)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-(oxan-2-ylmethoxy)pyridine-2,3-diamine
PubChem CID79827597
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name6-(oxan-2-ylmethoxy)pyridine-2,3-diamine
SMILESNc1ccc(OCC2CCCCO2)nc1N
InChIInChI=1S/C11H17N3O2/c12-9-4-5-10(14-11(9)13)16-7-8-3-1-2-6-15-8/h4-5,8H,1-3,6-7,12H2,(H2,13,14)
InChIKeyBLHWITCJMOKOTB-UHFFFAOYSA-N
XLogP1.19
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-chloro-6-(oxan-2-ylmethoxy)-2-pyridinyl]methanamine
CID 55058525
6-methoxy-2-(oxolan-2-ylmethoxy)pyridin-3-amine
CID 115321070
3-chloro-6-(oxan-2-ylmethoxy)pyridazine
CID 24688626
6-N-(oxan-2-ylmethyl)pyridine-2,3,6-triamine
CID 79825613
4-chloro-2-(oxan-2-ylmethoxy)aniline
CID 62306028
3-chloro-2-[[(2S)-oxan-2-yl]methoxy]aniline
CID 26189169
6-(oxan-2-ylmethoxy)pyridine-2-carboxylic acid
CID 53256658
2-(oxan-2-ylmethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 172644114
6-(oxan-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773775
5-(oxan-2-ylmethoxy)quinazoline-2,4-diamine
CID 24778297
6-(oxan-2-ylmethoxy)-N-propylpyridin-2-amine
CID 80859693
5-fluoro-2-[[(2R)-oxan-2-yl]methoxy]aniline
CID 26189643

Frequently Asked Questions

What is the IUPAC name of 6-(oxan-2-ylmethoxy)pyridine-2,3-diamine?
The IUPAC name of 6-(oxan-2-ylmethoxy)pyridine-2,3-diamine (CID 79827597) is 6-(oxan-2-ylmethoxy)pyridine-2,3-diamine.
What is the SMILES notation for 6-(oxan-2-ylmethoxy)pyridine-2,3-diamine?
The canonical SMILES for 6-(oxan-2-ylmethoxy)pyridine-2,3-diamine is Nc1ccc(OCC2CCCCO2)nc1N.
What is the InChIKey of 6-(oxan-2-ylmethoxy)pyridine-2,3-diamine?
The InChIKey is BLHWITCJMOKOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-9-4-5-10(14-11(9)13)16-7-8-3-1-2-6-15-8/h4-5,8H,1-3,6-7,12H2,(H2,13,14).
What are the key properties of 6-(oxan-2-ylmethoxy)pyridine-2,3-diamine?
6-(oxan-2-ylmethoxy)pyridine-2,3-diamine has a molecular weight of 223.28 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-2-ylmethoxy)pyridine-2,3-diamine is sourced from PubChem (CID 79827597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).