4-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

C15H23FN4O — CID 97451025

IUPAC4-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2
InChIInChI=1S/C15H23FN4O/c1-12(2)19-5-3-15(4-6-19)11-20(7-8-21-15)14-17-9-13(16)10-18-14/h9-10,12H,3-8,11H2,1-2H3
InChIKeyVRXXKLSGPZDHRD-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.70
Rot. Bonds2

About 4-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

4-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 97451025) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID97451025
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name4-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2
InChIInChI=1S/C15H23FN4O/c1-12(2)19-5-3-15(4-6-19)11-20(7-8-21-15)14-17-9-13(16)10-18-14/h9-10,12H,3-8,11H2,1-2H3
InChIKeyVRXXKLSGPZDHRD-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-Fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine
CID 616971
4-(5-Methylpyrimidin-2-YL)-2-(piperidin-1-ylmethyl)-1,4-oxazepane
CID 72848462
2-Cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97451026
3-(5-Methylpyrimidin-2-yl)-11-propan-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 97502549
(4aR,7aS)-4-(5-fluoropyrimidin-2-yl)-6-(3-methylbutyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510735
(4aR,7aS)-6-(cyclobutylmethyl)-4-(5-fluoropyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510736
(4aR,7aS)-6-(cyclohexylmethyl)-4-(5-fluoropyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510738
8-(5-Fluoropyrimidin-2-yl)-4-propylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739085
7-(5-Fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
CID 118739101
8-(5-Fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739111
4-Ethylsulfonyl-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739113
8-Methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118742778

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 97451025) is 4-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is CC(C)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2.
What is the InChIKey of 4-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is VRXXKLSGPZDHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-12(2)19-5-3-15(4-6-19)11-20(7-8-21-15)14-17-9-13(16)10-18-14/h9-10,12H,3-8,11H2,1-2H3.
What are the key properties of 4-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
4-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 294.37 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97451025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).