(8R)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane

C18H26FN3O3 — CID 124784129

IUPAC(8R)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
SMILESFc1cnc(N2CC3(C2)OCC[C@H]3CCOCC2CCOCC2)nc1
InChIInChI=1S/C18H26FN3O3/c19-16-9-20-17(21-10-16)22-12-18(13-22)15(4-8-25-18)3-7-24-11-14-1-5-23-6-2-14/h9-10,14-15H,1-8,11-13H2/t15-/m1/s1
InChIKeyYOCYOEQMUBQAFM-OAHLLOKOSA-N
MW351.42 g/mol
LogP2.04
Rot. Bonds6

About (8R)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane

(8R)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane (PubChem CID 124784129) has the molecular formula C18H26FN3O3 and a molecular weight of 351.42 g/mol. Its IUPAC name is (8R)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(8R)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
PubChem CID124784129
Molecular FormulaC18H26FN3O3
Molecular Weight351.42 g/mol
Exact Mass351.20
IUPAC Name(8R)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
SMILESFc1cnc(N2CC3(C2)OCC[C@H]3CCOCC2CCOCC2)nc1
InChIInChI=1S/C18H26FN3O3/c19-16-9-20-17(21-10-16)22-12-18(13-22)15(4-8-25-18)3-7-24-11-14-1-5-23-6-2-14/h9-10,14-15H,1-8,11-13H2/t15-/m1/s1
InChIKeyYOCYOEQMUBQAFM-OAHLLOKOSA-N
XLogP2.04
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-(ethoxymethyl)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane
CID 97418621
(5S)-5-(ethoxymethyl)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane
CID 97418622
(3R,5S)-7-(5-fluoropyrimidin-2-yl)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97419963
(1R,3aR,7aR)-5-(5-fluoropyrimidin-2-yl)-1-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
CID 97950755
N-[2-[(8R)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidine-1-carboxamide
CID 124229641
N-[2-[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidine-1-carboxamide
CID 124229642
(8S)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124781648
(8R)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124781649
(8S)-2-(5-fluoropyrimidin-2-yl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124783369
(8R)-2-(5-fluoropyrimidin-2-yl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124783370
(3S,5R)-7-(5-fluoropyrimidin-2-yl)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 124783867
(8S)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124784128

Frequently Asked Questions

What is the IUPAC name of (8R)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of (8R)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane (CID 124784129) is (8R)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for (8R)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for (8R)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane is Fc1cnc(N2CC3(C2)OCC[C@H]3CCOCC2CCOCC2)nc1.
What is the InChIKey of (8R)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is YOCYOEQMUBQAFM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26FN3O3/c19-16-9-20-17(21-10-16)22-12-18(13-22)15(4-8-25-18)3-7-24-11-14-1-5-23-6-2-14/h9-10,14-15H,1-8,11-13H2/t15-/m1/s1.
What are the key properties of (8R)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane?
(8R)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 351.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 124784129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).