[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone

C16H17N5O3 — CID 124792240

IUPAC[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1
InChIInChI=1S/C16H17N5O3/c22-15(14-19-3-1-4-20-14)21-10-16(11-21)8-12(2-7-23-16)24-13-9-17-5-6-18-13/h1,3-6,9,12H,2,7-8,10-11H2/t12-/m1/s1
InChIKeyJBSPARVMQKJFTD-GFCCVEGCSA-N
MW327.34 g/mol
LogP0.72
Rot. Bonds3

About [(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone

[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone (PubChem CID 124792240) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is [(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone
PubChem CID124792240
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1
InChIInChI=1S/C16H17N5O3/c22-15(14-19-3-1-4-20-14)21-10-16(11-21)8-12(2-7-23-16)24-13-9-17-5-6-18-13/h1,3-6,9,12H,2,7-8,10-11H2/t12-/m1/s1
InChIKeyJBSPARVMQKJFTD-GFCCVEGCSA-N
XLogP0.72
TPSA90.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone with MolForge

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Related Compounds

2-(5-Fluoropyrimidin-2-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 133139349
2-(5-Fluoropyrimidin-2-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
CID 133143147
8-Pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155845002
(3-(Pyrazin-2-yloxy)piperidin-1-yl)(pyrimidin-2-yl)methanone
CID 91627911
(3-((3-(Dimethylamino)pyrazin-2-yl)oxy)piperidin-1-yl)(pyrimidin-2-yl)methanone
CID 91628292
N-((1r,4r)-4-(pyrazin-2-yloxy)cyclohexyl)pyrimidine-2-carboxamide
CID 92097196
N-((1r,4r)-4-((6-methoxypyrazin-2-yl)oxy)cyclohexyl)pyrimidine-2-carboxamide
CID 92098301
(3-((3-Methoxypyrazin-2-yl)oxy)piperidin-1-yl)(pyrimidin-2-yl)methanone
CID 92102917
(3-((6-Methoxypyrazin-2-yl)oxy)piperidin-1-yl)(pyrimidin-2-yl)methanone
CID 92103430
[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]-pyrimidin-2-ylmethanone
CID 100647082
[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]-pyrimidin-2-ylmethanone
CID 100647099
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone
CID 100659329

Frequently Asked Questions

What is the IUPAC name of [(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone?
The IUPAC name of [(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone (CID 124792240) is [(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone.
What is the SMILES notation for [(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone?
The canonical SMILES for [(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone is O=C(c1ncccn1)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1.
What is the InChIKey of [(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone?
The InChIKey is JBSPARVMQKJFTD-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17N5O3/c22-15(14-19-3-1-4-20-14)21-10-16(11-21)8-12(2-7-23-16)24-13-9-17-5-6-18-13/h1,3-6,9,12H,2,7-8,10-11H2/t12-/m1/s1.
What are the key properties of [(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone?
[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone has a molecular weight of 327.34 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone is sourced from PubChem (CID 124792240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).