8-(5-fluoropyrimidin-2-yl)-1-methyl-4-phenyl-1,8-diazaspiro[4.5]decan-2-one

C19H21FN4O — CID 118740878

IUPAC8-(5-fluoropyrimidin-2-yl)-1-methyl-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CC(c2ccccc2)C12CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C19H21FN4O/c1-23-17(25)11-16(14-5-3-2-4-6-14)19(23)7-9-24(10-8-19)18-21-12-15(20)13-22-18/h2-6,12-13,16H,7-11H2,1H3
InChIKeyMCIXJWNIVDBASV-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.60
Rot. Bonds2

About 8-(5-fluoropyrimidin-2-yl)-1-methyl-4-phenyl-1,8-diazaspiro[4.5]decan-2-one

8-(5-fluoropyrimidin-2-yl)-1-methyl-4-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 118740878) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 8-(5-fluoropyrimidin-2-yl)-1-methyl-4-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(5-fluoropyrimidin-2-yl)-1-methyl-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID118740878
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name8-(5-fluoropyrimidin-2-yl)-1-methyl-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CC(c2ccccc2)C12CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C19H21FN4O/c1-23-17(25)11-16(14-5-3-2-4-6-14)19(23)7-9-24(10-8-19)18-21-12-15(20)13-22-18/h2-6,12-13,16H,7-11H2,1H3
InChIKeyMCIXJWNIVDBASV-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.60
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)-1-methyl-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(5-fluoropyrimidin-2-yl)-1-methyl-4-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 118740878) is 8-(5-fluoropyrimidin-2-yl)-1-methyl-4-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(5-fluoropyrimidin-2-yl)-1-methyl-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(5-fluoropyrimidin-2-yl)-1-methyl-4-phenyl-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)CC(c2ccccc2)C12CCN(c1ncc(F)cn1)CC2.
What is the InChIKey of 8-(5-fluoropyrimidin-2-yl)-1-methyl-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is MCIXJWNIVDBASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-23-17(25)11-16(14-5-3-2-4-6-14)19(23)7-9-24(10-8-19)18-21-12-15(20)13-22-18/h2-6,12-13,16H,7-11H2,1H3.
What are the key properties of 8-(5-fluoropyrimidin-2-yl)-1-methyl-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
8-(5-fluoropyrimidin-2-yl)-1-methyl-4-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 340.40 g/mol, XLogP of 2.60, 2 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)-1-methyl-4-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118740878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).