2-(2,5-dimethylpyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecane

C15H23N3O — CID 138005597

IUPAC2-(2,5-dimethylpyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecane
SMILESCc1ncc(C)c(N2CCCC3(CCOCC3)C2)n1
InChIInChI=1S/C15H23N3O/c1-12-10-16-13(2)17-14(12)18-7-3-4-15(11-18)5-8-19-9-6-15/h10H,3-9,11H2,1-2H3
InChIKeyOIGDWMYNTKHRKJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.49
Rot. Bonds1

About 2-(2,5-dimethylpyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecane

2-(2,5-dimethylpyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecane (PubChem CID 138005597) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(2,5-dimethylpyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecane
PubChem CID138005597
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(2,5-dimethylpyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecane
SMILESCc1ncc(C)c(N2CCCC3(CCOCC3)C2)n1
InChIInChI=1S/C15H23N3O/c1-12-10-16-13(2)17-14(12)18-7-3-4-15(11-18)5-8-19-9-6-15/h10H,3-9,11H2,1-2H3
InChIKeyOIGDWMYNTKHRKJ-UHFFFAOYSA-N
XLogP2.49
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecane?
The IUPAC name of 2-(2,5-dimethylpyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecane (CID 138005597) is 2-(2,5-dimethylpyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecane.
What is the SMILES notation for 2-(2,5-dimethylpyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecane?
The canonical SMILES for 2-(2,5-dimethylpyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecane is Cc1ncc(C)c(N2CCCC3(CCOCC3)C2)n1.
What is the InChIKey of 2-(2,5-dimethylpyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecane?
The InChIKey is OIGDWMYNTKHRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-10-16-13(2)17-14(12)18-7-3-4-15(11-18)5-8-19-9-6-15/h10H,3-9,11H2,1-2H3.
What are the key properties of 2-(2,5-dimethylpyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecane?
2-(2,5-dimethylpyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecane has a molecular weight of 261.37 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecane is sourced from PubChem (CID 138005597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).