(1-fluorocyclobutyl)-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone

C17H23FN4O2 — CID 131685281

IUPAC(1-fluorocyclobutyl)-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(N1CCOC2(CCCN(c3ncccn3)C2)C1)C1(F)CCC1
InChIInChI=1S/C17H23FN4O2/c18-17(5-1-6-17)14(23)21-10-11-24-16(12-21)4-2-9-22(13-16)15-19-7-3-8-20-15/h3,7-8H,1-2,4-6,9-13H2
InChIKeyCTBAREYDIHDCSG-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.57
Rot. Bonds2

About (1-fluorocyclobutyl)-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone

(1-fluorocyclobutyl)-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone (PubChem CID 131685281) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is (1-fluorocyclobutyl)-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Name(1-fluorocyclobutyl)-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
PubChem CID131685281
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC Name(1-fluorocyclobutyl)-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(N1CCOC2(CCCN(c3ncccn3)C2)C1)C1(F)CCC1
InChIInChI=1S/C17H23FN4O2/c18-17(5-1-6-17)14(23)21-10-11-24-16(12-21)4-2-9-22(13-16)15-19-7-3-8-20-15/h3,7-8H,1-2,4-6,9-13H2
InChIKeyCTBAREYDIHDCSG-UHFFFAOYSA-N
XLogP1.57
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(Morpholin-4-ylcarbonyl)-1'-pyrimidin-2-yl-1,4'-bipiperidine
CID 56862502
2-Methoxy-1-(2-(pyrimidin-2-yl)-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 3234225
2-Methoxy-1-(9-(pyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
CID 3235149
3-Hydroxy-1-(2-methoxyethyl)-3-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]piperidin-2-one
CID 56750330
(1-Methylpiperidin-3-yl)(4-(pyrimidin-2-yloxy)piperidin-1-yl)methanone
CID 71799141
2-Cyclopropyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 97450997
2-(Dimethylamino)-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 97450998
2-Methoxy-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 97450999
4-Pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97451007
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-(8-Pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanol
CID 118739115

Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclobutyl)-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of (1-fluorocyclobutyl)-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone (CID 131685281) is (1-fluorocyclobutyl)-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for (1-fluorocyclobutyl)-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for (1-fluorocyclobutyl)-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone is O=C(N1CCOC2(CCCN(c3ncccn3)C2)C1)C1(F)CCC1.
What is the InChIKey of (1-fluorocyclobutyl)-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is CTBAREYDIHDCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2/c18-17(5-1-6-17)14(23)21-10-11-24-16(12-21)4-2-9-22(13-16)15-19-7-3-8-20-15/h3,7-8H,1-2,4-6,9-13H2.
What are the key properties of (1-fluorocyclobutyl)-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone?
(1-fluorocyclobutyl)-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 334.40 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclobutyl)-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 131685281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).