9-(5-fluoro-4-methoxypyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane

C14H20FN3O2 — CID 137344472

IUPAC9-(5-fluoro-4-methoxypyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane
SMILESCOc1nc(N2CCC3(CCOCC3)CC2)ncc1F
InChIInChI=1S/C14H20FN3O2/c1-19-12-11(15)10-16-13(17-12)18-6-2-14(3-7-18)4-8-20-9-5-14/h10H,2-9H2,1H3
InChIKeyWQDXOGPPZRJMNB-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.02
Rot. Bonds2

About 9-(5-fluoro-4-methoxypyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane

9-(5-fluoro-4-methoxypyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 137344472) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 9-(5-fluoro-4-methoxypyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(5-fluoro-4-methoxypyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane
PubChem CID137344472
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name9-(5-fluoro-4-methoxypyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane
SMILESCOc1nc(N2CCC3(CCOCC3)CC2)ncc1F
InChIInChI=1S/C14H20FN3O2/c1-19-12-11(15)10-16-13(17-12)18-6-2-14(3-7-18)4-8-20-9-5-14/h10H,2-9H2,1H3
InChIKeyWQDXOGPPZRJMNB-UHFFFAOYSA-N
XLogP2.02
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-Ethylpiperazin-1-YL)piperidin-1-YL]-5-fluoro-4-methoxypyrimidine
CID 129616047
[1-(5-Fluoro-4-methoxy-2-pyrimidinyl)-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72896260
4-Methoxy-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidine
CID 126835232
(2S)-4-(5-fluoro-4-methoxypyrimidin-2-yl)-2-(2-methoxyethyl)morpholine
CID 129610917
5-fluoro-N-[(1-isobutylpiperidin-4-yl)methyl]-4-methoxypyrimidin-2-amine
CID 129619994
(1-{[(5-Fluoro-4-methoxypyrimidin-2-YL)(methyl)amino]methyl}cyclobutyl)methanol
CID 129620330
Methyl 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate
CID 162376324
5-Fluoro-4-methoxy-2-piperidin-1-ylpyrimidine
CID 169090115
(1R*,3S*)-7-(5-fluoro-4-methoxy-2-pyrimidinyl)-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol
CID 72880202
[(3R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97135770
[(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97135772
{2-[1-(5-Fluoro-4-methoxy-2-pyrimidinyl)-3-piperidinyl]ethyl}amine diacetate
CID 122556660

Frequently Asked Questions

What is the IUPAC name of 9-(5-fluoro-4-methoxypyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-(5-fluoro-4-methoxypyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane (CID 137344472) is 9-(5-fluoro-4-methoxypyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(5-fluoro-4-methoxypyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-(5-fluoro-4-methoxypyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane is COc1nc(N2CCC3(CCOCC3)CC2)ncc1F.
What is the InChIKey of 9-(5-fluoro-4-methoxypyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is WQDXOGPPZRJMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-19-12-11(15)10-16-13(17-12)18-6-2-14(3-7-18)4-8-20-9-5-14/h10H,2-9H2,1H3.
What are the key properties of 9-(5-fluoro-4-methoxypyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane?
9-(5-fluoro-4-methoxypyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 281.33 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-fluoro-4-methoxypyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 137344472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).