8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C99H125F3N20O7 — CID 160938008

About 8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 160938008) has the molecular formula C99H125F3N20O7 and a molecular weight of 1764.22 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
• PubChem CID: 160938008
• Molecular Formula: C99H125F3N20O7
• Molecular Weight: 1764.22 g/mol
• Exact Mass: 1763.00
• IUPAC Name: 8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
• SMILES: CCNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1C#N)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(CN3CCOCC3)nc1)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C)nc1)C(=O)N2CC1(O)CCC1
• InChI: InChI=1S/C26H32F3N5O2.C25H34N6O2.C25H33N5O2.C23H26N4O/c1-2-32-25(19-7-4-3-5-8-19)13-11-23(12-14-25)17-33(20-15-30-21(31-16-20)26(27,28)29)22(35)34(23)18-24(36)9-6-10-24;1-29(2)25(20-6-4-3-5-7-20)10-8-24(9-11-25)19-31(23(32)28-24)21-16-26-22(27-17-21)18-30-12-14-33-15-13-30;1-19-27-15-21(16-28-19)29-17-23(30(22(29)31)18-24(32)9-6-10-24)11-13-25(26-2,14-12-23)20-7-4-3-5-8-20;1-26(2)23(19-9-4-3-5-10-19)14-12-22(13-15-23)17-27(21(28)25-22)20-11-7-6-8-18(20)16-24/h3-5,7-8,15-16,32,36H,2,6,9-14,17-18H2,1H3;3-7,16-17H,8-15,18-19H2,1-2H3,(H,28,32);3-5,7-8,15-16,26,32H,6,9-14,17-18H2,1-2H3;3-11H,12-15,17H2,1-2H3,(H,25,28)
• InChIKey: SUDAFITVGNHNKU-UHFFFAOYSA-N
• XLogP: 14.31
• TPSA: 296.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1764.22
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The IUPAC name of 8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 160938008) is 8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CCNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1C#N)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(CN3CCOCC3)nc1)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C)nc1)C(=O)N2CC1(O)CCC1.

What is the InChIKey of 8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The InChIKey is SUDAFITVGNHNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N5O2.C25H34N6O2.C25H33N5O2.C23H26N4O/c1-2-32-25(19-7-4-3-5-8-19)13-11-23(12-14-25)17-33(20-15-30-21(31-16-20)26(27,28)29)22(35)34(23)18-24(36)9-6-10-24;1-29(2)25(20-6-4-3-5-7-20)10-8-24(9-11-25)19-31(23(32)28-24)21-16-26-22(27-17-21)18-30-12-14-33-15-13-30;1-19-27-15-21(16-28-19)29-17-23(30(22(29)31)18-24(32)9-6-10-24)11-13-25(26-2,14-12-23)20-7-4-3-5-8-20;1-26(2)23(19-9-4-3-5-10-19)14-12-22(13-15-23)17-27(21(28)25-22)20-11-7-6-8-18(20)16-24/h3-5,7-8,15-16,32,36H,2,6,9-14,17-18H2,1H3;3-7,16-17H,8-15,18-19H2,1-2H3,(H,28,32);3-5,7-8,15-16,26,32H,6,9-14,17-18H2,1-2H3;3-11H,12-15,17H2,1-2H3,(H,25,28).

What are the key properties of 8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 1764.22 g/mol, XLogP of 14.31, 19 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 160938008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).