8-(2-pyrazin-2-yloxyethyl)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane

C17H21N5O2 — CID 133137271

IUPAC8-(2-pyrazin-2-yloxyethyl)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
SMILESc1cnc(N2CC3(CC(CCOc4cnccn4)CCO3)C2)nc1
InChIInChI=1S/C17H21N5O2/c1-4-20-16(21-5-1)22-12-17(13-22)10-14(3-9-24-17)2-8-23-15-11-18-6-7-19-15/h1,4-7,11,14H,2-3,8-10,12-13H2
InChIKeyANKCWZIARAVMIO-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.72
Rot. Bonds5

About 8-(2-pyrazin-2-yloxyethyl)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane

8-(2-pyrazin-2-yloxyethyl)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 133137271) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 8-(2-pyrazin-2-yloxyethyl)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name8-(2-pyrazin-2-yloxyethyl)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
PubChem CID133137271
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name8-(2-pyrazin-2-yloxyethyl)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
SMILESc1cnc(N2CC3(CC(CCOc4cnccn4)CCO3)C2)nc1
InChIInChI=1S/C17H21N5O2/c1-4-20-16(21-5-1)22-12-17(13-22)10-14(3-9-24-17)2-8-23-15-11-18-6-7-19-15/h1,4-7,11,14H,2-3,8-10,12-13H2
InChIKeyANKCWZIARAVMIO-UHFFFAOYSA-N
XLogP1.72
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2-pyrazin-2-yloxyethyl)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 8-(2-pyrazin-2-yloxyethyl)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane (CID 133137271) is 8-(2-pyrazin-2-yloxyethyl)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 8-(2-pyrazin-2-yloxyethyl)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 8-(2-pyrazin-2-yloxyethyl)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane is c1cnc(N2CC3(CC(CCOc4cnccn4)CCO3)C2)nc1.
What is the InChIKey of 8-(2-pyrazin-2-yloxyethyl)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is ANKCWZIARAVMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-4-20-16(21-5-1)22-12-17(13-22)10-14(3-9-24-17)2-8-23-15-11-18-6-7-19-15/h1,4-7,11,14H,2-3,8-10,12-13H2.
What are the key properties of 8-(2-pyrazin-2-yloxyethyl)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane?
8-(2-pyrazin-2-yloxyethyl)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 327.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-pyrazin-2-yloxyethyl)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 133137271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).