(5S)-5-(pyrazin-2-yloxymethyl)-9-pyrimidin-2-yl-3-oxa-9-azaspiro[5.5]undecane

C18H23N5O2 — CID 97475520

IUPAC(5S)-5-(pyrazin-2-yloxymethyl)-9-pyrimidin-2-yl-3-oxa-9-azaspiro[5.5]undecane
SMILESc1cnc(N2CCC3(CCOC[C@H]3COc3cnccn3)CC2)nc1
InChIInChI=1S/C18H23N5O2/c1-5-21-17(22-6-1)23-9-2-18(3-10-23)4-11-24-13-15(18)14-25-16-12-19-7-8-20-16/h1,5-8,12,15H,2-4,9-11,13-14H2/t15-/m0/s1
InChIKeyZYWHVQKGEIDABB-HNNXBMFYSA-N
MW341.41 g/mol
LogP1.97
Rot. Bonds4

About (5S)-5-(pyrazin-2-yloxymethyl)-9-pyrimidin-2-yl-3-oxa-9-azaspiro[5.5]undecane

(5S)-5-(pyrazin-2-yloxymethyl)-9-pyrimidin-2-yl-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 97475520) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is (5S)-5-(pyrazin-2-yloxymethyl)-9-pyrimidin-2-yl-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name(5S)-5-(pyrazin-2-yloxymethyl)-9-pyrimidin-2-yl-3-oxa-9-azaspiro[5.5]undecane
PubChem CID97475520
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name(5S)-5-(pyrazin-2-yloxymethyl)-9-pyrimidin-2-yl-3-oxa-9-azaspiro[5.5]undecane
SMILESc1cnc(N2CCC3(CCOC[C@H]3COc3cnccn3)CC2)nc1
InChIInChI=1S/C18H23N5O2/c1-5-21-17(22-6-1)23-9-2-18(3-10-23)4-11-24-13-15(18)14-25-16-12-19-7-8-20-16/h1,5-8,12,15H,2-4,9-11,13-14H2/t15-/m0/s1
InChIKeyZYWHVQKGEIDABB-HNNXBMFYSA-N
XLogP1.97
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-6-(2-methylpropoxy)-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazin-2-amine
CID 75378158
2-(5-Fluoropyrimidin-2-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 133139349
9-(5-Fluoropyrimidin-2-yl)-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 133144164
5-Fluoro-2-{4-[(pyrazin-2-yloxy)methyl]piperidin-1-yl}pyrimidine
CID 154575549
5-Fluoro-2-{3-[(pyrazin-2-yloxy)methyl]piperidin-1-yl}pyrimidine
CID 163352672
(5R)-5-(pyrazin-2-yloxymethyl)-9-pyrimidin-2-yl-3-oxa-9-azaspiro[5.5]undecane
CID 97475519
(8R)-8-pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 124911109
(8S)-8-pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 124911110
(8R)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 124913113
(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 124913114
5-(Pyrazin-2-yloxymethyl)-9-pyrimidin-2-yl-3-oxa-9-azaspiro[5.5]undecane
CID 131641846
8-[2-(6-Methylpyrazin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 131648666

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(pyrazin-2-yloxymethyl)-9-pyrimidin-2-yl-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of (5S)-5-(pyrazin-2-yloxymethyl)-9-pyrimidin-2-yl-3-oxa-9-azaspiro[5.5]undecane (CID 97475520) is (5S)-5-(pyrazin-2-yloxymethyl)-9-pyrimidin-2-yl-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for (5S)-5-(pyrazin-2-yloxymethyl)-9-pyrimidin-2-yl-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for (5S)-5-(pyrazin-2-yloxymethyl)-9-pyrimidin-2-yl-3-oxa-9-azaspiro[5.5]undecane is c1cnc(N2CCC3(CCOC[C@H]3COc3cnccn3)CC2)nc1.
What is the InChIKey of (5S)-5-(pyrazin-2-yloxymethyl)-9-pyrimidin-2-yl-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is ZYWHVQKGEIDABB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-5-21-17(22-6-1)23-9-2-18(3-10-23)4-11-24-13-15(18)14-25-16-12-19-7-8-20-16/h1,5-8,12,15H,2-4,9-11,13-14H2/t15-/m0/s1.
What are the key properties of (5S)-5-(pyrazin-2-yloxymethyl)-9-pyrimidin-2-yl-3-oxa-9-azaspiro[5.5]undecane?
(5S)-5-(pyrazin-2-yloxymethyl)-9-pyrimidin-2-yl-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 341.41 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(pyrazin-2-yloxymethyl)-9-pyrimidin-2-yl-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 97475520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).