(4R,5S)-7-(5-fluoro-4-methoxypyrimidin-2-yl)-7-azaspiro[4.5]decan-4-ol

C14H20FN3O2 — CID 164697688

IUPAC(4R,5S)-7-(5-fluoro-4-methoxypyrimidin-2-yl)-7-azaspiro[4.5]decan-4-ol
SMILESCOc1nc(N2CCC[C@@]3(CCC[C@H]3O)C2)ncc1F
InChIInChI=1S/C14H20FN3O2/c1-20-12-10(15)8-16-13(17-12)18-7-3-6-14(9-18)5-2-4-11(14)19/h8,11,19H,2-7,9H2,1H3/t11-,14+/m1/s1
InChIKeyWKOBPHDOSMBULX-RISCZKNCSA-N
MW281.33 g/mol
LogP1.76
Rot. Bonds2

About (4R,5S)-7-(5-fluoro-4-methoxypyrimidin-2-yl)-7-azaspiro[4.5]decan-4-ol

(4R,5S)-7-(5-fluoro-4-methoxypyrimidin-2-yl)-7-azaspiro[4.5]decan-4-ol (PubChem CID 164697688) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is (4R,5S)-7-(5-fluoro-4-methoxypyrimidin-2-yl)-7-azaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name(4R,5S)-7-(5-fluoro-4-methoxypyrimidin-2-yl)-7-azaspiro[4.5]decan-4-ol
PubChem CID164697688
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name(4R,5S)-7-(5-fluoro-4-methoxypyrimidin-2-yl)-7-azaspiro[4.5]decan-4-ol
SMILESCOc1nc(N2CCC[C@@]3(CCC[C@H]3O)C2)ncc1F
InChIInChI=1S/C14H20FN3O2/c1-20-12-10(15)8-16-13(17-12)18-7-3-6-14(9-18)5-2-4-11(14)19/h8,11,19H,2-7,9H2,1H3/t11-,14+/m1/s1
InChIKeyWKOBPHDOSMBULX-RISCZKNCSA-N
XLogP1.76
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R,5S)-7-(5-fluoro-4-methoxypyrimidin-2-yl)-7-azaspiro[4.5]decan-4-ol with MolForge

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Related Compounds

[1-(5-Fluoro-4-methoxy-2-pyrimidinyl)-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72896260
(1-{[(5-Fluoro-4-methoxypyrimidin-2-YL)amino]methyl}cyclopentyl)methanol
CID 122560704
(1-{[(5-Fluoro-4-methoxypyrimidin-2-YL)(methyl)amino]methyl}cyclobutyl)methanol
CID 129620330
(1R*,3S*)-7-(5-fluoro-4-methoxy-2-pyrimidinyl)-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol
CID 72880202
1-(5-Fluoro-4-methoxypyrimidin-2-yl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid
CID 86283122
[(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
[(3R)-1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol
CID 129612750
[(3S)-1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol
CID 129612751
(1-{[(5-Fluoro-4-methoxypyrimidin-2-YL)(methyl)amino]methyl}cyclopentyl)methanol
CID 129623248
(1-{3-[(5-Fluoro-4-methoxypyrimidin-2-YL)amino]propyl}piperidin-3-YL)methanol
CID 131900510
(1S,3R)-7-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol
CID 133110023

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-7-(5-fluoro-4-methoxypyrimidin-2-yl)-7-azaspiro[4.5]decan-4-ol?
The IUPAC name of (4R,5S)-7-(5-fluoro-4-methoxypyrimidin-2-yl)-7-azaspiro[4.5]decan-4-ol (CID 164697688) is (4R,5S)-7-(5-fluoro-4-methoxypyrimidin-2-yl)-7-azaspiro[4.5]decan-4-ol.
What is the SMILES notation for (4R,5S)-7-(5-fluoro-4-methoxypyrimidin-2-yl)-7-azaspiro[4.5]decan-4-ol?
The canonical SMILES for (4R,5S)-7-(5-fluoro-4-methoxypyrimidin-2-yl)-7-azaspiro[4.5]decan-4-ol is COc1nc(N2CCC[C@@]3(CCC[C@H]3O)C2)ncc1F.
What is the InChIKey of (4R,5S)-7-(5-fluoro-4-methoxypyrimidin-2-yl)-7-azaspiro[4.5]decan-4-ol?
The InChIKey is WKOBPHDOSMBULX-RISCZKNCSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-20-12-10(15)8-16-13(17-12)18-7-3-6-14(9-18)5-2-4-11(14)19/h8,11,19H,2-7,9H2,1H3/t11-,14+/m1/s1.
What are the key properties of (4R,5S)-7-(5-fluoro-4-methoxypyrimidin-2-yl)-7-azaspiro[4.5]decan-4-ol?
(4R,5S)-7-(5-fluoro-4-methoxypyrimidin-2-yl)-7-azaspiro[4.5]decan-4-ol has a molecular weight of 281.33 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-7-(5-fluoro-4-methoxypyrimidin-2-yl)-7-azaspiro[4.5]decan-4-ol is sourced from PubChem (CID 164697688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).