(8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane

C17H25N3O3 — CID 124893559

IUPAC(8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1ccnc(O[C@H]2CCOC3(C2)CN(C2CCOCC2)C3)n1
InChIInChI=1S/C17H25N3O3/c1-13-2-6-18-16(19-13)23-15-5-9-22-17(10-15)11-20(12-17)14-3-7-21-8-4-14/h2,6,14-15H,3-5,7-12H2,1H3/t15-/m0/s1
InChIKeyNBRDPONKSDZCGM-HNNXBMFYSA-N
MW319.40 g/mol
LogP1.58
Rot. Bonds3

About (8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane

(8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124893559) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is (8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124893559
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name(8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1ccnc(O[C@H]2CCOC3(C2)CN(C2CCOCC2)C3)n1
InChIInChI=1S/C17H25N3O3/c1-13-2-6-18-16(19-13)23-15-5-9-22-17(10-15)11-20(12-17)14-3-7-21-8-4-14/h2,6,14-15H,3-5,7-12H2,1H3/t15-/m0/s1
InChIKeyNBRDPONKSDZCGM-HNNXBMFYSA-N
XLogP1.58
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-methylsulfonyl-5-oxa-2-azaspiro[3.5]nonane
CID 124893679
2-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
CID 131644906
[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone
CID 133142484
(5-methyl-1,2-oxazol-3-yl)-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124893711
(5-methyl-1,2-oxazol-3-yl)-[(8R)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124893710
[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-4-ylmethanone
CID 131655494
[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-2-ylmethanone
CID 131659884
[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 124893255
[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone
CID 133137075
(8S)-2-[(3-fluorophenyl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
CID 124893162
(1-methylpyrazol-3-yl)-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124814156
2-[(4-methoxyphenyl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155834762

Frequently Asked Questions

What is the IUPAC name of (8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane (CID 124893559) is (8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane is Cc1ccnc(O[C@H]2CCOC3(C2)CN(C2CCOCC2)C3)n1.
What is the InChIKey of (8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is NBRDPONKSDZCGM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-13-2-6-18-16(19-13)23-15-5-9-22-17(10-15)11-20(12-17)14-3-7-21-8-4-14/h2,6,14-15H,3-5,7-12H2,1H3/t15-/m0/s1.
What are the key properties of (8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane?
(8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 319.40 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124893559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).