2-(5-fluoropyrimidin-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane

C17H24FN3O3 — CID 133142747

IUPAC2-(5-fluoropyrimidin-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
SMILESFc1cnc(N2CC3(CC(OCC4CCOCC4)CCO3)C2)nc1
InChIInChI=1S/C17H24FN3O3/c18-14-8-19-16(20-9-14)21-11-17(12-21)7-15(3-6-24-17)23-10-13-1-4-22-5-2-13/h8-9,13,15H,1-7,10-12H2
InChIKeyBAMFMDHJHITDOD-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.80
Rot. Bonds4

About 2-(5-fluoropyrimidin-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane

2-(5-fluoropyrimidin-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 133142747) has the molecular formula C17H24FN3O3 and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
PubChem CID133142747
Molecular FormulaC17H24FN3O3
Molecular Weight337.40 g/mol
Exact Mass337.18
IUPAC Name2-(5-fluoropyrimidin-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
SMILESFc1cnc(N2CC3(CC(OCC4CCOCC4)CCO3)C2)nc1
InChIInChI=1S/C17H24FN3O3/c18-14-8-19-16(20-9-14)21-11-17(12-21)7-15(3-6-24-17)23-10-13-1-4-22-5-2-13/h8-9,13,15H,1-7,10-12H2
InChIKeyBAMFMDHJHITDOD-UHFFFAOYSA-N
XLogP1.80
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(5-Fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 131660931
4-(5-Fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97372303
(3S)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 97385578
(3R)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 97385579
(5aR,9aS)-8-(5-fluoropyrimidin-2-yl)-4-(oxan-4-yl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepine
CID 97403391
(3R,5S)-7-(5-fluoropyrimidin-2-yl)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97419963
(4R,5S)-4-(cyclopropylmethoxymethyl)-9-(5-fluoropyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane
CID 97452455
(4R,5R)-9-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane
CID 98776853
(4R,5R)-4-(ethoxymethyl)-9-(5-fluoropyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane
CID 98776864
(4S,5S)-4-(cyclopropylmethoxymethyl)-9-(5-fluoropyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane
CID 98776878
(4S,5R)-9-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane
CID 98776931
(4S,5R)-4-(ethoxymethyl)-9-(5-fluoropyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane
CID 98776938

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-(5-fluoropyrimidin-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane (CID 133142747) is 2-(5-fluoropyrimidin-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(5-fluoropyrimidin-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-(5-fluoropyrimidin-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane is Fc1cnc(N2CC3(CC(OCC4CCOCC4)CCO3)C2)nc1.
What is the InChIKey of 2-(5-fluoropyrimidin-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is BAMFMDHJHITDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3/c18-14-8-19-16(20-9-14)21-11-17(12-21)7-15(3-6-24-17)23-10-13-1-4-22-5-2-13/h8-9,13,15H,1-7,10-12H2.
What are the key properties of 2-(5-fluoropyrimidin-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
2-(5-fluoropyrimidin-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 337.40 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropyrimidin-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 133142747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).