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

C18H22FN5O2 — CID 133144164

IUPAC9-(5-fluoropyrimidin-2-yl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
SMILESFc1cnc(N2CCC3(CCOCC3COc3cnccn3)CC2)nc1
InChIInChI=1S/C18H22FN5O2/c19-15-9-22-17(23-10-15)24-6-1-18(2-7-24)3-8-25-12-14(18)13-26-16-11-20-4-5-21-16/h4-5,9-11,14H,1-3,6-8,12-13H2
InChIKeyDUVFNNQTHPJSDG-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.11
Rot. Bonds4

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

9-(5-fluoropyrimidin-2-yl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 133144164) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is 9-(5-fluoropyrimidin-2-yl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(5-fluoropyrimidin-2-yl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
PubChem CID133144164
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name9-(5-fluoropyrimidin-2-yl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
SMILESFc1cnc(N2CCC3(CCOCC3COc3cnccn3)CC2)nc1
InChIInChI=1S/C18H22FN5O2/c19-15-9-22-17(23-10-15)24-6-1-18(2-7-24)3-8-25-12-14(18)13-26-16-11-20-4-5-21-16/h4-5,9-11,14H,1-3,6-8,12-13H2
InChIKeyDUVFNNQTHPJSDG-UHFFFAOYSA-N
XLogP2.11
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-Fluoropyrimidin-2-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 133139349
5-Fluoro-2-{4-[(pyrazin-2-yloxy)methyl]piperidin-1-yl}pyrimidine
CID 154575549
5-Fluoro-4-{4-[(pyrazin-2-yloxy)methyl]piperidin-1-yl}pyrimidine
CID 154583106
5-Fluoro-2-{3-[(pyrazin-2-yloxy)methyl]piperidin-1-yl}pyrimidine
CID 163352672
(5R)-5-(pyrazin-2-yloxymethyl)-9-pyrimidin-2-yl-3-oxa-9-azaspiro[5.5]undecane
CID 97475519
(5S)-5-(pyrazin-2-yloxymethyl)-9-pyrimidin-2-yl-3-oxa-9-azaspiro[5.5]undecane
CID 97475520
5-(Pyrazin-2-yloxymethyl)-9-pyrimidin-2-yl-3-oxa-9-azaspiro[5.5]undecane
CID 131641846
8-(2-Pyrazin-2-yloxyethyl)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 133137271
2-{4-[(Pyrazin-2-yloxy)methyl]piperidin-1-yl}pyrimidine
CID 154575548
5-Methoxy-2-{4-[(pyrazin-2-yloxy)methyl]piperidin-1-yl}pyrimidine
CID 154580780
5-Chloro-2-{3-[(pyrazin-2-yloxy)methyl]piperidin-1-yl}pyrimidine
CID 163352673
5-Bromo-2-{3-[(pyrazin-2-yloxy)methyl]piperidin-1-yl}pyrimidine
CID 163352678

Frequently Asked Questions

What is the IUPAC name of 9-(5-fluoropyrimidin-2-yl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-(5-fluoropyrimidin-2-yl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane (CID 133144164) is 9-(5-fluoropyrimidin-2-yl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(5-fluoropyrimidin-2-yl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-(5-fluoropyrimidin-2-yl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane is Fc1cnc(N2CCC3(CCOCC3COc3cnccn3)CC2)nc1.
What is the InChIKey of 9-(5-fluoropyrimidin-2-yl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is DUVFNNQTHPJSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c19-15-9-22-17(23-10-15)24-6-1-18(2-7-24)3-8-25-12-14(18)13-26-16-11-20-4-5-21-16/h4-5,9-11,14H,1-3,6-8,12-13H2.
What are the key properties of 9-(5-fluoropyrimidin-2-yl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane?
9-(5-fluoropyrimidin-2-yl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 359.41 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-fluoropyrimidin-2-yl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 133144164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).