9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C12H16N4O2 — CID 97471364

IUPAC9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(c3ncccn3)CC2)CN1
InChIInChI=1S/C12H16N4O2/c17-10-8-18-12(9-15-10)2-6-16(7-3-12)11-13-4-1-5-14-11/h1,4-5H,2-3,6-9H2,(H,15,17)
InChIKeyIOHYCRFWSNKDBJ-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.04
Rot. Bonds1

About 9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97471364) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97471364
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(c3ncccn3)CC2)CN1
InChIInChI=1S/C12H16N4O2/c17-10-8-18-12(9-15-10)2-6-16(7-3-12)11-13-4-1-5-14-11/h1,4-5H,2-3,6-9H2,(H,15,17)
InChIKeyIOHYCRFWSNKDBJ-UHFFFAOYSA-N
XLogP-0.04
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one 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-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97471364) is 9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(c3ncccn3)CC2)CN1.
What is the InChIKey of 9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is IOHYCRFWSNKDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c17-10-8-18-12(9-15-10)2-6-16(7-3-12)11-13-4-1-5-14-11/h1,4-5H,2-3,6-9H2,(H,15,17).
What are the key properties of 9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 248.29 g/mol, XLogP of -0.04, 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-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97471364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).