8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one

C23H30FN5O — CID 157131245

About 8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 157131245) has the molecular formula C23H30FN5O and a molecular weight of 411.53 g/mol. Its IUPAC name is 8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one
• PubChem CID: 157131245
• Molecular Formula: C23H30FN5O
• Molecular Weight: 411.53 g/mol
• Exact Mass: 411.24
• IUPAC Name: 8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one
• SMILES: CCc1ncc(N2CC3(CCC(c4cccc(F)c4)(N(C)C)CC3)NC2=O)c(C)n1
• InChI: InChI=1S/C23H30FN5O/c1-5-20-25-14-19(16(2)26-20)29-15-22(27-21(29)30)9-11-23(12-10-22,28(3)4)17-7-6-8-18(24)13-17/h6-8,13-14H,5,9-12,15H2,1-4H3,(H,27,30)
• InChIKey: GXJNXTMGPISHMQ-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.53
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one?

The IUPAC name of 8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one (CID 157131245) is 8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one is CCc1ncc(N2CC3(CCC(c4cccc(F)c4)(N(C)C)CC3)NC2=O)c(C)n1.

What is the InChIKey of 8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one?

The InChIKey is GXJNXTMGPISHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5O/c1-5-20-25-14-19(16(2)26-20)29-15-22(27-21(29)30)9-11-23(12-10-22,28(3)4)17-7-6-8-18(24)13-17/h6-8,13-14H,5,9-12,15H2,1-4H3,(H,27,30).

What are the key properties of 8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one?

8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 411.53 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 157131245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).