7-(4-cyclopentylpyrimidin-2-yl)-1-oxa-7-azaspiro[3.5]nonane

C16H23N3O — CID 56863787

IUPAC7-(4-cyclopentylpyrimidin-2-yl)-1-oxa-7-azaspiro[3.5]nonane
SMILESc1cc(C2CCCC2)nc(N2CCC3(CCO3)CC2)n1
InChIInChI=1S/C16H23N3O/c1-2-4-13(3-1)14-5-9-17-15(18-14)19-10-6-16(7-11-19)8-12-20-16/h5,9,13H,1-4,6-8,10-12H2
InChIKeyGUIACYQGLXLAQS-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.89
Rot. Bonds2

About 7-(4-cyclopentylpyrimidin-2-yl)-1-oxa-7-azaspiro[3.5]nonane

7-(4-cyclopentylpyrimidin-2-yl)-1-oxa-7-azaspiro[3.5]nonane (PubChem CID 56863787) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 7-(4-cyclopentylpyrimidin-2-yl)-1-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(4-cyclopentylpyrimidin-2-yl)-1-oxa-7-azaspiro[3.5]nonane
PubChem CID56863787
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name7-(4-cyclopentylpyrimidin-2-yl)-1-oxa-7-azaspiro[3.5]nonane
SMILESc1cc(C2CCCC2)nc(N2CCC3(CCO3)CC2)n1
InChIInChI=1S/C16H23N3O/c1-2-4-13(3-1)14-5-9-17-15(18-14)19-10-6-16(7-11-19)8-12-20-16/h5,9,13H,1-4,6-8,10-12H2
InChIKeyGUIACYQGLXLAQS-UHFFFAOYSA-N
XLogP2.89
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclopentylpyrimidin-2-yl)-1-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of 7-(4-cyclopentylpyrimidin-2-yl)-1-oxa-7-azaspiro[3.5]nonane (CID 56863787) is 7-(4-cyclopentylpyrimidin-2-yl)-1-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-(4-cyclopentylpyrimidin-2-yl)-1-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-(4-cyclopentylpyrimidin-2-yl)-1-oxa-7-azaspiro[3.5]nonane is c1cc(C2CCCC2)nc(N2CCC3(CCO3)CC2)n1.
What is the InChIKey of 7-(4-cyclopentylpyrimidin-2-yl)-1-oxa-7-azaspiro[3.5]nonane?
The InChIKey is GUIACYQGLXLAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-4-13(3-1)14-5-9-17-15(18-14)19-10-6-16(7-11-19)8-12-20-16/h5,9,13H,1-4,6-8,10-12H2.
What are the key properties of 7-(4-cyclopentylpyrimidin-2-yl)-1-oxa-7-azaspiro[3.5]nonane?
7-(4-cyclopentylpyrimidin-2-yl)-1-oxa-7-azaspiro[3.5]nonane has a molecular weight of 273.38 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclopentylpyrimidin-2-yl)-1-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 56863787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).