5-(ethoxymethyl)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane

C16H24FN3O2 — CID 131640119

IUPAC5-(ethoxymethyl)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane
SMILESCCOCC1COCCC12CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C16H24FN3O2/c1-2-21-11-13-12-22-8-5-16(13)3-6-20(7-4-16)15-18-9-14(17)10-19-15/h9-10,13H,2-8,11-12H2,1H3
InChIKeyBYSDPLDLVXCMRB-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.28
Rot. Bonds4

About 5-(ethoxymethyl)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane

5-(ethoxymethyl)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 131640119) has the molecular formula C16H24FN3O2 and a molecular weight of 309.38 g/mol. Its IUPAC name is 5-(ethoxymethyl)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name5-(ethoxymethyl)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane
PubChem CID131640119
Molecular FormulaC16H24FN3O2
Molecular Weight309.38 g/mol
Exact Mass309.19
IUPAC Name5-(ethoxymethyl)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane
SMILESCCOCC1COCCC12CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C16H24FN3O2/c1-2-21-11-13-12-22-8-5-16(13)3-6-20(7-4-16)15-18-9-14(17)10-19-15/h9-10,13H,2-8,11-12H2,1H3
InChIKeyBYSDPLDLVXCMRB-UHFFFAOYSA-N
XLogP2.28
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-Methylpyrimidin-2-YL)-9-oxa-2-azaspiro[5.5]undecane
CID 72899435
(5R)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane
CID 69492853
7-(5-Fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane
CID 77661371
2-[[(4aS,8aR)-6-(5-fluoropyrimidin-2-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylethanamine
CID 97363514
2-[[(4aR,8aR)-6-(5-fluoropyrimidin-2-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylethanamine
CID 97363515
2-[[(4aS,8aS)-6-(5-fluoropyrimidin-2-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylethanamine
CID 97363516
2-[[(4aR,8aS)-6-(5-fluoropyrimidin-2-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylethanamine
CID 97363517
(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
(3R)-3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane
CID 97418197
(3S)-3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane
CID 97418198
(5R)-9-(5-fluoropyrimidin-2-yl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 97418491

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 5-(ethoxymethyl)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane (CID 131640119) is 5-(ethoxymethyl)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 5-(ethoxymethyl)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 5-(ethoxymethyl)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane is CCOCC1COCCC12CCN(c1ncc(F)cn1)CC2.
What is the InChIKey of 5-(ethoxymethyl)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is BYSDPLDLVXCMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2/c1-2-21-11-13-12-22-8-5-16(13)3-6-20(7-4-16)15-18-9-14(17)10-19-15/h9-10,13H,2-8,11-12H2,1H3.
What are the key properties of 5-(ethoxymethyl)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane?
5-(ethoxymethyl)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 309.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 131640119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).