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

C15H21FN4O2 — CID 97449741

IUPAC8-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCOCCN1CCC2(CCN(c3ncc(F)cn3)CC2)C1=O
InChIInChI=1S/C15H21FN4O2/c1-22-9-8-19-5-2-15(13(19)21)3-6-20(7-4-15)14-17-10-12(16)11-18-14/h10-11H,2-9H2,1H3
InChIKeyKNBMSRKLVXLIGR-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.08
Rot. Bonds4

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

8-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97449741) has the molecular formula C15H21FN4O2 and a molecular weight of 308.36 g/mol. Its IUPAC name is 8-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97449741
Molecular FormulaC15H21FN4O2
Molecular Weight308.36 g/mol
Exact Mass308.16
IUPAC Name8-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCOCCN1CCC2(CCN(c3ncc(F)cn3)CC2)C1=O
InChIInChI=1S/C15H21FN4O2/c1-22-9-8-19-5-2-15(13(19)21)3-6-20(7-4-15)14-17-10-12(16)11-18-14/h10-11H,2-9H2,1H3
InChIKeyKNBMSRKLVXLIGR-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
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)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one (CID 97449741) is 8-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one is COCCN1CCC2(CCN(c3ncc(F)cn3)CC2)C1=O.
What is the InChIKey of 8-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is KNBMSRKLVXLIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O2/c1-22-9-8-19-5-2-15(13(19)21)3-6-20(7-4-15)14-17-10-12(16)11-18-14/h10-11H,2-9H2,1H3.
What are the key properties of 8-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one?
8-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 308.36 g/mol, XLogP of 1.08, 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)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97449741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).