9-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one

C17H23FN4O2 — CID 67505667

IUPAC9-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCOCC2)CCC12CCCN(c1ncc(F)cn1)C2
InChIInChI=1S/C17H23FN4O2/c18-13-10-19-16(20-11-13)21-6-1-4-17(12-21)5-7-22(15(17)23)14-2-8-24-9-3-14/h10-11,14H,1-9,12H2
InChIKeyOJYFNCLRVOTFKU-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.61
Rot. Bonds2

About 9-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one

9-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 67505667) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is 9-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID67505667
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC Name9-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCOCC2)CCC12CCCN(c1ncc(F)cn1)C2
InChIInChI=1S/C17H23FN4O2/c18-13-10-19-16(20-11-13)21-6-1-4-17(12-21)5-7-22(15(17)23)14-2-8-24-9-3-14/h10-11,14H,1-9,12H2
InChIKeyOJYFNCLRVOTFKU-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one (CID 67505667) is 9-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one is O=C1N(C2CCOCC2)CCC12CCCN(c1ncc(F)cn1)C2.
What is the InChIKey of 9-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is OJYFNCLRVOTFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2/c18-13-10-19-16(20-11-13)21-6-1-4-17(12-21)5-7-22(15(17)23)14-2-8-24-9-3-14/h10-11,14H,1-9,12H2.
What are the key properties of 9-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
9-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 334.40 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 67505667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).