9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-5-ol

C13H19N3O2 — CID 72904527

IUPAC9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESOC1CCCOC12CCN(c1ncccn1)CC2
InChIInChI=1S/C13H19N3O2/c17-11-3-1-10-18-13(11)4-8-16(9-5-13)12-14-6-2-7-15-12/h2,6-7,11,17H,1,3-5,8-10H2
InChIKeyHXSSDZAKAFRBPG-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.99
Rot. Bonds1

About 9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-5-ol

9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-5-ol (PubChem CID 72904527) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-5-ol.

Molecular Properties

Compound Name9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-5-ol
PubChem CID72904527
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESOC1CCCOC12CCN(c1ncccn1)CC2
InChIInChI=1S/C13H19N3O2/c17-11-3-1-10-18-13(11)4-8-16(9-5-13)12-14-6-2-7-15-12/h2,6-7,11,17H,1,3-5,8-10H2
InChIKeyHXSSDZAKAFRBPG-UHFFFAOYSA-N
XLogP0.99
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The IUPAC name of 9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-5-ol (CID 72904527) is 9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-5-ol.
What is the SMILES notation for 9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The canonical SMILES for 9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-5-ol is OC1CCCOC12CCN(c1ncccn1)CC2.
What is the InChIKey of 9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The InChIKey is HXSSDZAKAFRBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-11-3-1-10-18-13(11)4-8-16(9-5-13)12-14-6-2-7-15-12/h2,6-7,11,17H,1,3-5,8-10H2.
What are the key properties of 9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-5-ol?
9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-5-ol has a molecular weight of 249.31 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-5-ol is sourced from PubChem (CID 72904527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).