2-(5-fluoropyrimidin-2-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane

C18H22FN5O2 — CID 133136908

IUPAC2-(5-fluoropyrimidin-2-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1cncc(OCCC2CCOC3(C2)CN(c2ncc(F)cn2)C3)n1
InChIInChI=1S/C18H22FN5O2/c1-13-7-20-10-16(23-13)25-4-2-14-3-5-26-18(6-14)11-24(12-18)17-21-8-15(19)9-22-17/h7-10,14H,2-6,11-12H2,1H3
InChIKeyVAEOENFATOQDDR-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.17
Rot. Bonds5

About 2-(5-fluoropyrimidin-2-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane

2-(5-fluoropyrimidin-2-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 133136908) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-2-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-2-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane
PubChem CID133136908
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name2-(5-fluoropyrimidin-2-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1cncc(OCCC2CCOC3(C2)CN(c2ncc(F)cn2)C3)n1
InChIInChI=1S/C18H22FN5O2/c1-13-7-20-10-16(23-13)25-4-2-14-3-5-26-18(6-14)11-24(12-18)17-21-8-15(19)9-22-17/h7-10,14H,2-6,11-12H2,1H3
InChIKeyVAEOENFATOQDDR-UHFFFAOYSA-N
XLogP2.17
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-[2-(6-Methylpyrazin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155837275
5-Fluoro-2-(4-{[(3-methylpyrazin-2-yl)oxy]methyl}piperidin-1-yl)pyrimidine
CID 165434591
5-Fluoro-2-{4-[(6-methylpyrazin-2-yl)oxy]piperidin-1-yl}pyrimidine
CID 171701891
N,N-dimethyl-6-[(8S)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine
CID 124816204
N,N-dimethyl-6-[(8R)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine
CID 124816205
(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
(8R)-2-(6-methoxypyrimidin-4-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124913139

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-2-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-(5-fluoropyrimidin-2-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane (CID 133136908) is 2-(5-fluoropyrimidin-2-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(5-fluoropyrimidin-2-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-(5-fluoropyrimidin-2-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane is Cc1cncc(OCCC2CCOC3(C2)CN(c2ncc(F)cn2)C3)n1.
What is the InChIKey of 2-(5-fluoropyrimidin-2-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is VAEOENFATOQDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c1-13-7-20-10-16(23-13)25-4-2-14-3-5-26-18(6-14)11-24(12-18)17-21-8-15(19)9-22-17/h7-10,14H,2-6,11-12H2,1H3.
What are the key properties of 2-(5-fluoropyrimidin-2-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane?
2-(5-fluoropyrimidin-2-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 359.41 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropyrimidin-2-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 133136908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).