8-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-2-one

C15H21FN4O2 — CID 97493741

IUPAC8-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN1C(=O)CCC12CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C15H21FN4O2/c1-22-9-8-20-13(21)2-3-15(20)4-6-19(7-5-15)14-17-10-12(16)11-18-14/h10-11H,2-9H2,1H3
InChIKeyXUVPXMLZDXUFIS-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.22
Rot. Bonds4

About 8-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-2-one

8-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97493741) has the molecular formula C15H21FN4O2 and a molecular weight of 308.36 g/mol. Its IUPAC name is 8-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97493741
Molecular FormulaC15H21FN4O2
Molecular Weight308.36 g/mol
Exact Mass308.16
IUPAC Name8-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN1C(=O)CCC12CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C15H21FN4O2/c1-22-9-8-20-13(21)2-3-15(20)4-6-19(7-5-15)14-17-10-12(16)11-18-14/h10-11H,2-9H2,1H3
InChIKeyXUVPXMLZDXUFIS-UHFFFAOYSA-N
XLogP1.22
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97493741) is 8-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-2-one is COCCN1C(=O)CCC12CCN(c1ncc(F)cn1)CC2.
What is the InChIKey of 8-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is XUVPXMLZDXUFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O2/c1-22-9-8-20-13(21)2-3-15(20)4-6-19(7-5-15)14-17-10-12(16)11-18-14/h10-11H,2-9H2,1H3.
What are the key properties of 8-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-2-one?
8-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 308.36 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97493741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).