2-ethoxy-1-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)ethanone

C16H24N4O3 — CID 118743212

IUPAC2-ethoxy-1-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)ethanone
SMILESCCOCC(=O)N1CCOCC2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C16H24N4O3/c1-2-22-10-14(21)19-8-9-23-13-16(11-19)4-7-20(12-16)15-17-5-3-6-18-15/h3,5-6H,2,4,7-13H2,1H3
InChIKeyOZQMJONTDXZDCL-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.57
Rot. Bonds4

About 2-ethoxy-1-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)ethanone

2-ethoxy-1-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)ethanone (PubChem CID 118743212) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-ethoxy-1-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)ethanone.

Molecular Properties

Compound Name2-ethoxy-1-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)ethanone
PubChem CID118743212
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-ethoxy-1-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)ethanone
SMILESCCOCC(=O)N1CCOCC2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C16H24N4O3/c1-2-22-10-14(21)19-8-9-23-13-16(11-19)4-7-20(12-16)15-17-5-3-6-18-15/h3,5-6H,2,4,7-13H2,1H3
InChIKeyOZQMJONTDXZDCL-UHFFFAOYSA-N
XLogP0.57
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)ethanone?
The IUPAC name of 2-ethoxy-1-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)ethanone (CID 118743212) is 2-ethoxy-1-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)ethanone.
What is the SMILES notation for 2-ethoxy-1-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)ethanone?
The canonical SMILES for 2-ethoxy-1-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)ethanone is CCOCC(=O)N1CCOCC2(CCN(c3ncccn3)C2)C1.
What is the InChIKey of 2-ethoxy-1-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)ethanone?
The InChIKey is OZQMJONTDXZDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-2-22-10-14(21)19-8-9-23-13-16(11-19)4-7-20(12-16)15-17-5-3-6-18-15/h3,5-6H,2,4,7-13H2,1H3.
What are the key properties of 2-ethoxy-1-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)ethanone?
2-ethoxy-1-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)ethanone has a molecular weight of 320.39 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)ethanone is sourced from PubChem (CID 118743212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).