3-(2-ethoxypyrimidin-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol

C14H21N3O2 — CID 171961001

IUPAC3-(2-ethoxypyrimidin-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCCOc1ncc(C2(O)CC3CCCC(C2)N3)cn1
InChIInChI=1S/C14H21N3O2/c1-2-19-13-15-8-10(9-16-13)14(18)6-11-4-3-5-12(7-14)17-11/h8-9,11-12,17-18H,2-7H2,1H3
InChIKeyZWMQDXNGFUOXOL-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.37
Rot. Bonds3

About 3-(2-ethoxypyrimidin-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol

3-(2-ethoxypyrimidin-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171961001) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(2-ethoxypyrimidin-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(2-ethoxypyrimidin-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171961001
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-(2-ethoxypyrimidin-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCCOc1ncc(C2(O)CC3CCCC(C2)N3)cn1
InChIInChI=1S/C14H21N3O2/c1-2-19-13-15-8-10(9-16-13)14(18)6-11-4-3-5-12(7-14)17-11/h8-9,11-12,17-18H,2-7H2,1H3
InChIKeyZWMQDXNGFUOXOL-UHFFFAOYSA-N
XLogP1.37
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxypyrimidin-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(2-ethoxypyrimidin-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171961001) is 3-(2-ethoxypyrimidin-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(2-ethoxypyrimidin-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(2-ethoxypyrimidin-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol is CCOc1ncc(C2(O)CC3CCCC(C2)N3)cn1.
What is the InChIKey of 3-(2-ethoxypyrimidin-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is ZWMQDXNGFUOXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-19-13-15-8-10(9-16-13)14(18)6-11-4-3-5-12(7-14)17-11/h8-9,11-12,17-18H,2-7H2,1H3.
What are the key properties of 3-(2-ethoxypyrimidin-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
3-(2-ethoxypyrimidin-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 263.34 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxypyrimidin-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171961001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).