2-(5-fluoropyrimidin-2-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane

C17H20FN5O2 — CID 133139349

IUPAC2-(5-fluoropyrimidin-2-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
SMILESFc1cnc(N2CC3(CC(CCOc4cnccn4)CCO3)C2)nc1
InChIInChI=1S/C17H20FN5O2/c18-14-8-21-16(22-9-14)23-11-17(12-23)7-13(2-6-25-17)1-5-24-15-10-19-3-4-20-15/h3-4,8-10,13H,1-2,5-7,11-12H2
InChIKeyTWXMYCSSYYKPCK-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.86
Rot. Bonds5

About 2-(5-fluoropyrimidin-2-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane

2-(5-fluoropyrimidin-2-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 133139349) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-2-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-2-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
PubChem CID133139349
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name2-(5-fluoropyrimidin-2-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
SMILESFc1cnc(N2CC3(CC(CCOc4cnccn4)CCO3)C2)nc1
InChIInChI=1S/C17H20FN5O2/c18-14-8-21-16(22-9-14)23-11-17(12-23)7-13(2-6-25-17)1-5-24-15-10-19-3-4-20-15/h3-4,8-10,13H,1-2,5-7,11-12H2
InChIKeyTWXMYCSSYYKPCK-UHFFFAOYSA-N
XLogP1.86
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(5-fluoropyrimidin-2-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane with MolForge

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Related Compounds

2-(5-Fluoropyrimidin-2-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 133136908
2-(5-Fluoropyrimidin-2-yl)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 133141620
2-(5-Fluoropyrimidin-2-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
CID 133143147
9-(5-Fluoropyrimidin-2-yl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 133144164
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
8-[2-(6-Methylpyrazin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155837275
8-Pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155845002
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
[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone
CID 124792240

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-2-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-(5-fluoropyrimidin-2-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane (CID 133139349) is 2-(5-fluoropyrimidin-2-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(5-fluoropyrimidin-2-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-(5-fluoropyrimidin-2-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane is Fc1cnc(N2CC3(CC(CCOc4cnccn4)CCO3)C2)nc1.
What is the InChIKey of 2-(5-fluoropyrimidin-2-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is TWXMYCSSYYKPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c18-14-8-21-16(22-9-14)23-11-17(12-23)7-13(2-6-25-17)1-5-24-15-10-19-3-4-20-15/h3-4,8-10,13H,1-2,5-7,11-12H2.
What are the key properties of 2-(5-fluoropyrimidin-2-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane?
2-(5-fluoropyrimidin-2-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 345.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropyrimidin-2-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 133139349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).