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

C13H17FN4O — CID 97385434

IUPAC8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CCN(c3ncc(F)cn3)CC2)C1=O
InChIInChI=1S/C13H17FN4O/c1-17-5-2-13(11(17)19)3-6-18(7-4-13)12-15-8-10(14)9-16-12/h8-9H,2-7H2,1H3
InChIKeyHWCPKKGADBLFMV-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.06
Rot. Bonds1

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

8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97385434) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97385434
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CCN(c3ncc(F)cn3)CC2)C1=O
InChIInChI=1S/C13H17FN4O/c1-17-5-2-13(11(17)19)3-6-18(7-4-13)12-15-8-10(14)9-16-12/h8-9H,2-7H2,1H3
InChIKeyHWCPKKGADBLFMV-UHFFFAOYSA-N
XLogP1.06
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one (CID 97385434) is 8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one is CN1CCC2(CCN(c3ncc(F)cn3)CC2)C1=O.
What is the InChIKey of 8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is HWCPKKGADBLFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-17-5-2-13(11(17)19)3-6-18(7-4-13)12-15-8-10(14)9-16-12/h8-9H,2-7H2,1H3.
What are the key properties of 8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 264.30 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97385434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).