[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone

C16H23N3O3 — CID 118741093

IUPAC[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
SMILESCCOCC1CC2(CCN(C(=O)c3ncccn3)CC2)CO1
InChIInChI=1S/C16H23N3O3/c1-2-21-11-13-10-16(12-22-13)4-8-19(9-5-16)15(20)14-17-6-3-7-18-14/h3,6-7,13H,2,4-5,8-12H2,1H3
InChIKeyUZMZVVFGPQDFDD-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.52
Rot. Bonds4

About [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone

[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone (PubChem CID 118741093) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
PubChem CID118741093
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
SMILESCCOCC1CC2(CCN(C(=O)c3ncccn3)CC2)CO1
InChIInChI=1S/C16H23N3O3/c1-2-21-11-13-10-16(12-22-13)4-8-19(9-5-16)15(20)14-17-6-3-7-18-14/h3,6-7,13H,2,4-5,8-12H2,1H3
InChIKeyUZMZVVFGPQDFDD-UHFFFAOYSA-N
XLogP1.52
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-2-ylmethanone
CID 97419498
[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-2-ylmethanone
CID 97419728
(3-Methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyrimidin-2-ylmethanone
CID 118739142
8-{[4-(2-Pyrimidinyl)-1-piperazinyl]acetyl}-1-oxa-8-azaspiro[4.5]decane
CID 56874306
[4-(Hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]dec-8-yl](2-pyrimidinyl)methanone
CID 91922261
[(4S,4aR,7aR)-6-ethyl-4-methoxy-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-pyrimidin-2-ylmethanone
CID 133142818
[(4R,4aR,7aR)-6-ethyl-4-methoxy-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-pyrimidin-2-ylmethanone
CID 133144337
9-(2-Pyrimidinylmethyl)-2-(tetrahydro-2-furanylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72873076
[2-Cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-8-yl](2-pyrimidinyl)methanone
CID 91922326
2-[[(2S)-oxolan-2-yl]methyl]-9-(pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97124766
2-[[(2R)-oxolan-2-yl]methyl]-9-(pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97124767
[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
CID 97418089

Frequently Asked Questions

What is the IUPAC name of [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone?
The IUPAC name of [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone (CID 118741093) is [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone.
What is the SMILES notation for [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone?
The canonical SMILES for [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone is CCOCC1CC2(CCN(C(=O)c3ncccn3)CC2)CO1.
What is the InChIKey of [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone?
The InChIKey is UZMZVVFGPQDFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-2-21-11-13-10-16(12-22-13)4-8-19(9-5-16)15(20)14-17-6-3-7-18-14/h3,6-7,13H,2,4-5,8-12H2,1H3.
What are the key properties of [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone?
[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone has a molecular weight of 305.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone is sourced from PubChem (CID 118741093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).