2-[(2-methylpropan-2-yl)oxy]-6-(2-pyridin-2-ylethoxy)pyridin-3-amine

C16H21N3O2 — CID 43262540

IUPAC2-[(2-methylpropan-2-yl)oxy]-6-(2-pyridin-2-ylethoxy)pyridin-3-amine
SMILESCC(C)(C)Oc1nc(OCCc2ccccn2)ccc1N
InChIInChI=1S/C16H21N3O2/c1-16(2,3)21-15-13(17)7-8-14(19-15)20-11-9-12-6-4-5-10-18-12/h4-8,10H,9,11,17H2,1-3H3
InChIKeyYPPKBHWFOZLIDQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.86
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxy]-6-(2-pyridin-2-ylethoxy)pyridin-3-amine

2-[(2-methylpropan-2-yl)oxy]-6-(2-pyridin-2-ylethoxy)pyridin-3-amine (PubChem CID 43262540) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-6-(2-pyridin-2-ylethoxy)pyridin-3-amine.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-6-(2-pyridin-2-ylethoxy)pyridin-3-amine
PubChem CID43262540
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-6-(2-pyridin-2-ylethoxy)pyridin-3-amine
SMILESCC(C)(C)Oc1nc(OCCc2ccccn2)ccc1N
InChIInChI=1S/C16H21N3O2/c1-16(2,3)21-15-13(17)7-8-14(19-15)20-11-9-12-6-4-5-10-18-12/h4-8,10H,9,11,17H2,1-3H3
InChIKeyYPPKBHWFOZLIDQ-UHFFFAOYSA-N
XLogP2.86
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-6-(2-pyridin-2-ylethoxy)pyridin-3-amine?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-6-(2-pyridin-2-ylethoxy)pyridin-3-amine (CID 43262540) is 2-[(2-methylpropan-2-yl)oxy]-6-(2-pyridin-2-ylethoxy)pyridin-3-amine.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-6-(2-pyridin-2-ylethoxy)pyridin-3-amine?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-6-(2-pyridin-2-ylethoxy)pyridin-3-amine is CC(C)(C)Oc1nc(OCCc2ccccn2)ccc1N.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-6-(2-pyridin-2-ylethoxy)pyridin-3-amine?
The InChIKey is YPPKBHWFOZLIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(2,3)21-15-13(17)7-8-14(19-15)20-11-9-12-6-4-5-10-18-12/h4-8,10H,9,11,17H2,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-6-(2-pyridin-2-ylethoxy)pyridin-3-amine?
2-[(2-methylpropan-2-yl)oxy]-6-(2-pyridin-2-ylethoxy)pyridin-3-amine has a molecular weight of 287.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-6-(2-pyridin-2-ylethoxy)pyridin-3-amine is sourced from PubChem (CID 43262540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).