3-ethoxy-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decane

C15H23N3O2 — CID 118740760

IUPAC3-ethoxy-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESCCOC1COC2(CCN(c3ncc(C)cn3)CC2)C1
InChIInChI=1S/C15H23N3O2/c1-3-19-13-8-15(20-11-13)4-6-18(7-5-15)14-16-9-12(2)10-17-14/h9-10,13H,3-8,11H2,1-2H3
InChIKeyILEXGNYBRZLSCR-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.95
Rot. Bonds3

About 3-ethoxy-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decane

3-ethoxy-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118740760) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-ethoxy-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-ethoxy-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID118740760
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-ethoxy-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESCCOC1COC2(CCN(c3ncc(C)cn3)CC2)C1
InChIInChI=1S/C15H23N3O2/c1-3-19-13-8-15(20-11-13)4-6-18(7-5-15)14-16-9-12(2)10-17-14/h9-10,13H,3-8,11H2,1-2H3
InChIKeyILEXGNYBRZLSCR-UHFFFAOYSA-N
XLogP1.95
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(2-Methyl-5-propyl-4-pyrimidinyl)-1-oxa-8-azaspiro[4.5]decane
CID 56873308
2-(5-Methylpyrimidin-2-YL)-9-oxa-2-azaspiro[5.5]undecane
CID 72899435
N-{[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}acetamide
CID 72937737
[3-(3-Methoxypropyl)-1-(5-pyrimidinylmethyl)-3-piperidinyl]methanol
CID 72927990
N,N-dimethyl-5-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine
CID 99576652
5-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99940329
7-Ethyl-9-(pyrimidin-5-ylmethyl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 121548703
8-[4-(Dimethylamino)-5-fluoropyrimidin-2-YL]-1-oxa-8-azaspiro[4.5]decan-3-OL
CID 72864148
(3S)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-3-ol
CID 97120609
(3R)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-3-ol
CID 97120610
(3S)-3-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane
CID 97418099
(3R)-3-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane
CID 97418100

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-ethoxy-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decane (CID 118740760) is 3-ethoxy-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-ethoxy-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-ethoxy-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decane is CCOC1COC2(CCN(c3ncc(C)cn3)CC2)C1.
What is the InChIKey of 3-ethoxy-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is ILEXGNYBRZLSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-19-13-8-15(20-11-13)4-6-18(7-5-15)14-16-9-12(2)10-17-14/h9-10,13H,3-8,11H2,1-2H3.
What are the key properties of 3-ethoxy-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decane?
3-ethoxy-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 277.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118740760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).