2-[3-(2-cyanopyrimidin-5-yl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;1-(cyclobutylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-(4-methoxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile

C102H128F4N24O8 — CID 161314623

About 2-[3-(2-cyanopyrimidin-5-yl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;1-(cyclobutylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-(4-methoxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile

2-[3-(2-cyanopyrimidin-5-yl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;1-(cyclobutylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-(4-methoxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile (PubChem CID 161314623) has the molecular formula C102H128F4N24O8 and a molecular weight of 1894.30 g/mol. Its IUPAC name is 2-[3-(2-cyanopyrimidin-5-yl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;1-(cyclobutylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-(4-methoxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile.

Molecular Properties

• Compound Name: 2-[3-(2-cyanopyrimidin-5-yl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;1-(cyclobutylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-(4-methoxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile
• PubChem CID: 161314623
• Molecular Formula: C102H128F4N24O8
• Molecular Weight: 1894.30 g/mol
• Exact Mass: 1893.03
• IUPAC Name: 2-[3-(2-cyanopyrimidin-5-yl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;1-(cyclobutylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-(4-methoxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile
• SMILES: CN(C)C(=O)CN1C(=O)N(c2cnc(C#N)nc2)CC12CCC(c1ccccc1)(N(C)C)CC2.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1CCC1.COCCCCN1C(=O)N(c2cnc(C#N)nc2)CC12CCC(c1cccc(F)c1)(N(C)C)CC2.COCCCN1C(=O)N(c2cnc(C#N)nc2OC)CC12CCC(c1ccccc1)(N(C)C)CC2
• InChI: InChI=1S/C26H33FN6O2.C26H34N6O3.C25H30F3N5O.C25H31N7O2/c1-31(2)26(20-7-6-8-21(27)15-20)11-9-25(10-12-26)19-32(22-17-29-23(16-28)30-18-22)24(34)33(25)13-4-5-14-35-3;1-30(2)26(20-9-6-5-7-10-20)13-11-25(12-14-26)19-31(24(33)32(25)15-8-16-34-3)21-18-28-22(17-27)29-23(21)35-4;1-29-24(19-8-3-2-4-9-19)12-10-23(11-13-24)17-32(22(34)33(23)16-18-6-5-7-18)20-14-30-21(31-15-20)25(26,27)28;1-29(2)22(33)17-32-23(34)31(20-15-27-21(14-26)28-16-20)18-24(32)10-12-25(13-11-24,30(3)4)19-8-6-5-7-9-19/h6-8,15,17-18H,4-5,9-14,19H2,1-3H3;5-7,9-10,18H,8,11-16,19H2,1-4H3;2-4,8-9,14-15,18,29H,5-7,10-13,16-17H2,1H3;5-9,15-16H,10-13,17-18H2,1-4H3
• InChIKey: VJIJSOJSFOYFTF-UHFFFAOYSA-N
• XLogP: 14.74
• TPSA: 338.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 26
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1894.30
LogP ≤ 5	14.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-cyanopyrimidin-5-yl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;1-(cyclobutylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-(4-methoxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile?

The IUPAC name of 2-[3-(2-cyanopyrimidin-5-yl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;1-(cyclobutylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-(4-methoxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile (CID 161314623) is 2-[3-(2-cyanopyrimidin-5-yl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;1-(cyclobutylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-(4-methoxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile.

What is the SMILES notation for 2-[3-(2-cyanopyrimidin-5-yl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;1-(cyclobutylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-(4-methoxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile?

The canonical SMILES for 2-[3-(2-cyanopyrimidin-5-yl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;1-(cyclobutylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-(4-methoxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile is CN(C)C(=O)CN1C(=O)N(c2cnc(C#N)nc2)CC12CCC(c1ccccc1)(N(C)C)CC2.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1CCC1.COCCCCN1C(=O)N(c2cnc(C#N)nc2)CC12CCC(c1cccc(F)c1)(N(C)C)CC2.COCCCN1C(=O)N(c2cnc(C#N)nc2OC)CC12CCC(c1ccccc1)(N(C)C)CC2.

What is the InChIKey of 2-[3-(2-cyanopyrimidin-5-yl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;1-(cyclobutylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-(4-methoxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile?

The InChIKey is VJIJSOJSFOYFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN6O2.C26H34N6O3.C25H30F3N5O.C25H31N7O2/c1-31(2)26(20-7-6-8-21(27)15-20)11-9-25(10-12-26)19-32(22-17-29-23(16-28)30-18-22)24(34)33(25)13-4-5-14-35-3;1-30(2)26(20-9-6-5-7-10-20)13-11-25(12-14-26)19-31(24(33)32(25)15-8-16-34-3)21-18-28-22(17-27)29-23(21)35-4;1-29-24(19-8-3-2-4-9-19)12-10-23(11-13-24)17-32(22(34)33(23)16-18-6-5-7-18)20-14-30-21(31-15-20)25(26,27)28;1-29(2)22(33)17-32-23(34)31(20-15-27-21(14-26)28-16-20)18-24(32)10-12-25(13-11-24,30(3)4)19-8-6-5-7-9-19/h6-8,15,17-18H,4-5,9-14,19H2,1-3H3;5-7,9-10,18H,8,11-16,19H2,1-4H3;2-4,8-9,14-15,18,29H,5-7,10-13,16-17H2,1H3;5-9,15-16H,10-13,17-18H2,1-4H3.

What are the key properties of 2-[3-(2-cyanopyrimidin-5-yl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;1-(cyclobutylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-(4-methoxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile?

2-[3-(2-cyanopyrimidin-5-yl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;1-(cyclobutylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-(4-methoxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile has a molecular weight of 1894.30 g/mol, XLogP of 14.74, 26 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(2-cyanopyrimidin-5-yl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;1-(cyclobutylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-(4-methoxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile is sourced from PubChem (CID 161314623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).