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

C16H18FN5O2 — CID 133143147

IUPAC2-(5-fluoropyrimidin-2-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1cncc(OC2CCOC3(C2)CN(c2ncc(F)cn2)C3)n1
InChIInChI=1S/C16H18FN5O2/c1-11-5-18-8-14(21-11)24-13-2-3-23-16(4-13)9-22(10-16)15-19-6-12(17)7-20-15/h5-8,13H,2-4,9-10H2,1H3
InChIKeyCEPSEWIUQLLZCI-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.53
Rot. Bonds3

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

2-(5-fluoropyrimidin-2-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 133143147) has the molecular formula C16H18FN5O2 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-2-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-2-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
PubChem CID133143147
Molecular FormulaC16H18FN5O2
Molecular Weight331.35 g/mol
Exact Mass331.14
IUPAC Name2-(5-fluoropyrimidin-2-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1cncc(OC2CCOC3(C2)CN(c2ncc(F)cn2)C3)n1
InChIInChI=1S/C16H18FN5O2/c1-11-5-18-8-14(21-11)24-13-2-3-23-16(4-13)9-22(10-16)15-19-6-12(17)7-20-15/h5-8,13H,2-4,9-10H2,1H3
InChIKeyCEPSEWIUQLLZCI-UHFFFAOYSA-N
XLogP1.53
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-Fluoropyrimidin-2-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 133136908
2-(5-Fluoropyrimidin-2-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 133139349
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
8-Pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155845002
5-Fluoro-2-(4-{[(3-methylpyrazin-2-yl)oxy]methyl}piperidin-1-yl)pyrimidine
CID 165434591
5-Fluoro-4-{4-[(6-methylpyrazin-2-yl)oxy]piperidin-1-yl}pyrimidine
CID 171700884
5-Fluoro-2-{4-[(6-methylpyrazin-2-yl)oxy]piperidin-1-yl}pyrimidine
CID 171701891
[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone
CID 124792240
[(8S)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone
CID 124792241
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

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-2-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-(5-fluoropyrimidin-2-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane (CID 133143147) is 2-(5-fluoropyrimidin-2-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(5-fluoropyrimidin-2-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-(5-fluoropyrimidin-2-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane is Cc1cncc(OC2CCOC3(C2)CN(c2ncc(F)cn2)C3)n1.
What is the InChIKey of 2-(5-fluoropyrimidin-2-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is CEPSEWIUQLLZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O2/c1-11-5-18-8-14(21-11)24-13-2-3-23-16(4-13)9-22(10-16)15-19-6-12(17)7-20-15/h5-8,13H,2-4,9-10H2,1H3.
What are the key properties of 2-(5-fluoropyrimidin-2-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane?
2-(5-fluoropyrimidin-2-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 331.35 g/mol, XLogP of 1.53, 3 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-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 133143147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).