7-(2-ethoxypyrimidin-5-yl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C14H21N3O3 — CID 171961011

IUPAC7-(2-ethoxypyrimidin-5-yl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCCOc1ncc(C2(O)CC3COCC(C2)N3C)cn1
InChIInChI=1S/C14H21N3O3/c1-3-20-13-15-6-10(7-16-13)14(18)4-11-8-19-9-12(5-14)17(11)2/h6-7,11-12,18H,3-5,8-9H2,1-2H3
InChIKeyCVQMEFKWCJSOLV-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.56
Rot. Bonds3

About 7-(2-ethoxypyrimidin-5-yl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

7-(2-ethoxypyrimidin-5-yl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171961011) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 7-(2-ethoxypyrimidin-5-yl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name7-(2-ethoxypyrimidin-5-yl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171961011
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name7-(2-ethoxypyrimidin-5-yl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCCOc1ncc(C2(O)CC3COCC(C2)N3C)cn1
InChIInChI=1S/C14H21N3O3/c1-3-20-13-15-6-10(7-16-13)14(18)4-11-8-19-9-12(5-14)17(11)2/h6-7,11-12,18H,3-5,8-9H2,1-2H3
InChIKeyCVQMEFKWCJSOLV-UHFFFAOYSA-N
XLogP0.56
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-ethoxypyrimidin-5-yl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 7-(2-ethoxypyrimidin-5-yl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171961011) is 7-(2-ethoxypyrimidin-5-yl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 7-(2-ethoxypyrimidin-5-yl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 7-(2-ethoxypyrimidin-5-yl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is CCOc1ncc(C2(O)CC3COCC(C2)N3C)cn1.
What is the InChIKey of 7-(2-ethoxypyrimidin-5-yl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is CVQMEFKWCJSOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-20-13-15-6-10(7-16-13)14(18)4-11-8-19-9-12(5-14)17(11)2/h6-7,11-12,18H,3-5,8-9H2,1-2H3.
What are the key properties of 7-(2-ethoxypyrimidin-5-yl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
7-(2-ethoxypyrimidin-5-yl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 279.34 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethoxypyrimidin-5-yl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171961011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).