3-[6-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-ol

C17H25N3O2 — CID 91785403

IUPAC3-[6-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-ol
SMILESOC1CC(c2cc(N3CCCC4(CCOCC4)C3)ncn2)C1
InChIInChI=1S/C17H25N3O2/c21-14-8-13(9-14)15-10-16(19-12-18-15)20-5-1-2-17(11-20)3-6-22-7-4-17/h10,12-14,21H,1-9,11H2
InChIKeyZORYGOFYPXBSKL-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.11
Rot. Bonds2

About 3-[6-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-ol

3-[6-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91785403) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-[6-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91785403
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name3-[6-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-ol
SMILESOC1CC(c2cc(N3CCCC4(CCOCC4)C3)ncn2)C1
InChIInChI=1S/C17H25N3O2/c21-14-8-13(9-14)15-10-16(19-12-18-15)20-5-1-2-17(11-20)3-6-22-7-4-17/h10,12-14,21H,1-9,11H2
InChIKeyZORYGOFYPXBSKL-UHFFFAOYSA-N
XLogP2.11
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[6-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-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 3-[6-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-ol (CID 91785403) is 3-[6-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-ol is OC1CC(c2cc(N3CCCC4(CCOCC4)C3)ncn2)C1.
What is the InChIKey of 3-[6-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is ZORYGOFYPXBSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-14-8-13(9-14)15-10-16(19-12-18-15)20-5-1-2-17(11-20)3-6-22-7-4-17/h10,12-14,21H,1-9,11H2.
What are the key properties of 3-[6-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 303.41 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91785403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).