2-cyclopropyl-1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone

C17H23FN4O2 — CID 131644954

IUPAC2-cyclopropyl-1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
SMILESO=C(CC1CC1)N1CCOC2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C17H23FN4O2/c18-14-9-19-16(20-10-14)22-5-1-4-17(12-22)11-21(6-7-24-17)15(23)8-13-2-3-13/h9-10,13H,1-8,11-12H2
InChIKeyGZUPTYASYBXSTA-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.61
Rot. Bonds3

About 2-cyclopropyl-1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone

2-cyclopropyl-1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone (PubChem CID 131644954) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-cyclopropyl-1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
PubChem CID131644954
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC Name2-cyclopropyl-1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
SMILESO=C(CC1CC1)N1CCOC2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C17H23FN4O2/c18-14-9-19-16(20-10-14)22-5-1-4-17(12-22)11-21(6-7-24-17)15(23)8-13-2-3-13/h9-10,13H,1-8,11-12H2
InChIKeyGZUPTYASYBXSTA-UHFFFAOYSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(5-Fluoro-2-pyrimidinyl)-2-(tetrahydro-2-furanylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72851568
2-Cyclopropyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 97450997
2-Cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97451026
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
2-[8-(5-Fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol
CID 118743010
1-[8-(5-Fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-2-hydroxyethanone
CID 118743025
Oxolan-3-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 118745076
N,N-dimethyl-2-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 118745728
[(1S,5R,6S)-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone
CID 155558370
Ethyl 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-4-carboxylate
CID 50953683

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone (CID 131644954) is 2-cyclopropyl-1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone is O=C(CC1CC1)N1CCOC2(CCCN(c3ncc(F)cn3)C2)C1.
What is the InChIKey of 2-cyclopropyl-1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone?
The InChIKey is GZUPTYASYBXSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2/c18-14-9-19-16(20-10-14)22-5-1-4-17(12-22)11-21(6-7-24-17)15(23)8-13-2-3-13/h9-10,13H,1-8,11-12H2.
What are the key properties of 2-cyclopropyl-1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone?
2-cyclopropyl-1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone has a molecular weight of 334.40 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone is sourced from PubChem (CID 131644954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).