[(6R)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone

C17H23FN4O3 — CID 97396531

IUPAC[(6R)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCO[C@@]2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C17H23FN4O3/c18-13-9-19-16(20-10-13)22-5-2-4-17(12-22)11-21(6-8-25-17)15(23)14-3-1-7-24-14/h9-10,14H,1-8,11-12H2/t14-,17+/m1/s1
InChIKeyAAUJNMVJDYEQEX-PBHICJAKSA-N
MW350.39 g/mol
LogP0.99
Rot. Bonds2

About [(6R)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone

[(6R)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 97396531) has the molecular formula C17H23FN4O3 and a molecular weight of 350.39 g/mol. Its IUPAC name is [(6R)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[(6R)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID97396531
Molecular FormulaC17H23FN4O3
Molecular Weight350.39 g/mol
Exact Mass350.18
IUPAC Name[(6R)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCO[C@@]2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C17H23FN4O3/c18-13-9-19-16(20-10-13)22-5-2-4-17(12-22)11-21(6-8-25-17)15(23)14-3-1-7-24-14/h9-10,14H,1-8,11-12H2/t14-,17+/m1/s1
InChIKeyAAUJNMVJDYEQEX-PBHICJAKSA-N
XLogP0.99
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Oxolan-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2932528
9-(5-Fluoro-2-pyrimidinyl)-2-(tetrahydro-2-furanylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72851568
[(3aR,7R,7aR)-2-(5-fluoropyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-morpholin-4-ylmethanone
CID 97364622
[(2R,3aS,7aR)-6-(5-fluoropyrimidin-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 97366925
2-Cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97451026
[2-(5-Methylpyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 118739019
2-Methyl-1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one
CID 118739023
[2-(5-Fluoropyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 118739029
1-[4-(5-Methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 118742796
1-[8-(5-Fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-2-hydroxyethanone
CID 118743025
[(1S,5R,6S)-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone
CID 155558370
9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97209012

Frequently Asked Questions

What is the IUPAC name of [(6R)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [(6R)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone (CID 97396531) is [(6R)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [(6R)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [(6R)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone is O=C([C@H]1CCCO1)N1CCO[C@@]2(CCCN(c3ncc(F)cn3)C2)C1.
What is the InChIKey of [(6R)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is AAUJNMVJDYEQEX-PBHICJAKSA-N. The full InChI is InChI=1S/C17H23FN4O3/c18-13-9-19-16(20-10-13)22-5-2-4-17(12-22)11-21(6-8-25-17)15(23)14-3-1-7-24-14/h9-10,14H,1-8,11-12H2/t14-,17+/m1/s1.
What are the key properties of [(6R)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone?
[(6R)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 350.39 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 97396531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).