2-(5-methylpyrimidin-2-yl)-9-oxa-2-azaspiro[5.5]undecane

C14H21N3O — CID 72899435

IUPAC2-(5-methylpyrimidin-2-yl)-9-oxa-2-azaspiro[5.5]undecane
SMILESCc1cnc(N2CCCC3(CCOCC3)C2)nc1
InChIInChI=1S/C14H21N3O/c1-12-9-15-13(16-10-12)17-6-2-3-14(11-17)4-7-18-8-5-14/h9-10H,2-8,11H2,1H3
InChIKeyJJJVXSRUWXTWKC-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.18
Rot. Bonds1

About 2-(5-methylpyrimidin-2-yl)-9-oxa-2-azaspiro[5.5]undecane

2-(5-methylpyrimidin-2-yl)-9-oxa-2-azaspiro[5.5]undecane (PubChem CID 72899435) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(5-methylpyrimidin-2-yl)-9-oxa-2-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(5-methylpyrimidin-2-yl)-9-oxa-2-azaspiro[5.5]undecane
PubChem CID72899435
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(5-methylpyrimidin-2-yl)-9-oxa-2-azaspiro[5.5]undecane
SMILESCc1cnc(N2CCCC3(CCOCC3)C2)nc1
InChIInChI=1S/C14H21N3O/c1-12-9-15-13(16-10-12)17-6-2-3-14(11-17)4-7-18-8-5-14/h9-10H,2-8,11H2,1H3
InChIKeyJJJVXSRUWXTWKC-UHFFFAOYSA-N
XLogP2.18
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrimidin-2-yl)-9-oxa-2-azaspiro[5.5]undecane?
The IUPAC name of 2-(5-methylpyrimidin-2-yl)-9-oxa-2-azaspiro[5.5]undecane (CID 72899435) is 2-(5-methylpyrimidin-2-yl)-9-oxa-2-azaspiro[5.5]undecane.
What is the SMILES notation for 2-(5-methylpyrimidin-2-yl)-9-oxa-2-azaspiro[5.5]undecane?
The canonical SMILES for 2-(5-methylpyrimidin-2-yl)-9-oxa-2-azaspiro[5.5]undecane is Cc1cnc(N2CCCC3(CCOCC3)C2)nc1.
What is the InChIKey of 2-(5-methylpyrimidin-2-yl)-9-oxa-2-azaspiro[5.5]undecane?
The InChIKey is JJJVXSRUWXTWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-12-9-15-13(16-10-12)17-6-2-3-14(11-17)4-7-18-8-5-14/h9-10H,2-8,11H2,1H3.
What are the key properties of 2-(5-methylpyrimidin-2-yl)-9-oxa-2-azaspiro[5.5]undecane?
2-(5-methylpyrimidin-2-yl)-9-oxa-2-azaspiro[5.5]undecane has a molecular weight of 247.34 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrimidin-2-yl)-9-oxa-2-azaspiro[5.5]undecane is sourced from PubChem (CID 72899435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).