8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile

C100H129F3N24O7 — CID 160771189

About 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile

8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile (PubChem CID 160771189) has the molecular formula C100H129F3N24O7 and a molecular weight of 1836.29 g/mol. Its IUPAC name is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile.

Molecular Properties

• Compound Name: 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile
• PubChem CID: 160771189
• Molecular Formula: C100H129F3N24O7
• Molecular Weight: 1836.29 g/mol
• Exact Mass: 1835.04
• IUPAC Name: 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile
• SMILES: CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1(O)CCC1.CN1CCN(c2ncc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)CC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1ncc(C#N)cn1)C(=O)N2CCCOC.COCCCN1C(=O)N(c2ncc(C#N)cn2)CC12CCC(c1ccccc1)(N(C)C)CC2
• InChI: InChI=1S/C26H32F3N5O2.C25H35N7O.C25H32N6O2.C24H30N6O2/c1-32(2)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(20-7-5-4-6-8-20)11-9-24(10-12-25)19-32(23(33)28-24)21-17-26-22(27-18-21)31-15-13-30(3)14-16-31;1-29(2)25(21-8-5-4-6-9-21)12-10-24(11-13-25)19-30(22-27-17-20(16-26)18-28-22)23(32)31(24)14-7-15-33-3;1-26-24(20-7-4-3-5-8-20)11-9-23(10-12-24)18-29(21-27-16-19(15-25)17-28-21)22(31)30(23)13-6-14-32-2/h3-5,7-8,15-16,36H,6,9-14,17-18H2,1-2H3;4-8,17-18H,9-16,19H2,1-3H3,(H,28,33);4-6,8-9,17-18H,7,10-15,19H2,1-3H3;3-5,7-8,16-17,26H,6,9-14,18H2,1-2H3
• InChIKey: RZILGOJAKOIFCM-UHFFFAOYSA-N
• XLogP: 13.40
• TPSA: 320.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1836.29
LogP ≤ 5	13.40
H-Bond Donors ≤ 5	3
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 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile?

The IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile (CID 160771189) is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile.

What is the SMILES notation for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile?

The canonical SMILES for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1(O)CCC1.CN1CCN(c2ncc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)CC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1ncc(C#N)cn1)C(=O)N2CCCOC.COCCCN1C(=O)N(c2ncc(C#N)cn2)CC12CCC(c1ccccc1)(N(C)C)CC2.

What is the InChIKey of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile?

The InChIKey is RZILGOJAKOIFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N5O2.C25H35N7O.C25H32N6O2.C24H30N6O2/c1-32(2)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(20-7-5-4-6-8-20)11-9-24(10-12-25)19-32(23(33)28-24)21-17-26-22(27-18-21)31-15-13-30(3)14-16-31;1-29(2)25(21-8-5-4-6-9-21)12-10-24(11-13-25)19-30(22-27-17-20(16-26)18-28-22)23(32)31(24)14-7-15-33-3;1-26-24(20-7-4-3-5-8-20)11-9-23(10-12-24)18-29(21-27-16-19(15-25)17-28-21)22(31)30(23)13-6-14-32-2/h3-5,7-8,15-16,36H,6,9-14,17-18H2,1-2H3;4-8,17-18H,9-16,19H2,1-3H3,(H,28,33);4-6,8-9,17-18H,7,10-15,19H2,1-3H3;3-5,7-8,16-17,26H,6,9-14,18H2,1-2H3.

What are the key properties of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile?

8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile has a molecular weight of 1836.29 g/mol, XLogP of 13.40, 23 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 160771189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).