(4S,5S)-9-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane

C14H20FN3O2 — CID 124798204

IUPAC(4S,5S)-9-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane
SMILESCOC[C@@H]1CCC[C@@]12CN(c1ncc(F)cn1)CCO2
InChIInChI=1S/C14H20FN3O2/c1-19-9-11-3-2-4-14(11)10-18(5-6-20-14)13-16-7-12(15)8-17-13/h7-8,11H,2-6,9-10H2,1H3/t11-,14+/m0/s1
InChIKeyXUPSVDFJLPIIDU-SMDDNHRTSA-N
MW281.33 g/mol
LogP1.64
Rot. Bonds3

About (4S,5S)-9-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane

(4S,5S)-9-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane (PubChem CID 124798204) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is (4S,5S)-9-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4S,5S)-9-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane
PubChem CID124798204
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name(4S,5S)-9-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane
SMILESCOC[C@@H]1CCC[C@@]12CN(c1ncc(F)cn1)CCO2
InChIInChI=1S/C14H20FN3O2/c1-19-9-11-3-2-4-14(11)10-18(5-6-20-14)13-16-7-12(15)8-17-13/h7-8,11H,2-6,9-10H2,1H3/t11-,14+/m0/s1
InChIKeyXUPSVDFJLPIIDU-SMDDNHRTSA-N
XLogP1.64
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(5-Fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 131660931
9-(2-Chloro-5-fluoropyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane
CID 172608303
4-(2-Chloro-5-fluoropyrimidin-4-yl)-1-oxa-4-azaspiro[5.5]undecane
CID 172608427
5-fluoro-N,N-dimethyl-2-(6-oxa-9-azaspiro[4.5]dec-9-yl)pyrimidin-4-amine
CID 72913437
(3R,3aS,7aR)-3-(cyclopentylmethoxy)-1-(5-fluoropyrimidin-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97366185
(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
(3R,5S)-7-(5-fluoropyrimidin-2-yl)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97419963
(3R)-8-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97450564
(3S)-8-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97450565
(4R,5S)-4-(cyclopropylmethoxymethyl)-9-(5-fluoropyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane
CID 97452455
(3S,3aS,7aR)-3-(cyclopentylmethoxy)-1-(5-fluoropyrimidin-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97461547

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-9-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (4S,5S)-9-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane (CID 124798204) is (4S,5S)-9-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (4S,5S)-9-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (4S,5S)-9-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane is COC[C@@H]1CCC[C@@]12CN(c1ncc(F)cn1)CCO2.
What is the InChIKey of (4S,5S)-9-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is XUPSVDFJLPIIDU-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-19-9-11-3-2-4-14(11)10-18(5-6-20-14)13-16-7-12(15)8-17-13/h7-8,11H,2-6,9-10H2,1H3/t11-,14+/m0/s1.
What are the key properties of (4S,5S)-9-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane?
(4S,5S)-9-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 281.33 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-9-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 124798204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).