8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile)

C125H145N27O8S — CID 159937361

About 8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile)

8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile) (PubChem CID 159937361) has the molecular formula C125H145N27O8S and a molecular weight of 2185.78 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile).

Molecular Properties

• Compound Name: 8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile)
• PubChem CID: 159937361
• Molecular Formula: C125H145N27O8S
• Molecular Weight: 2185.78 g/mol
• Exact Mass: 2184.15
• IUPAC Name: 8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile)
• SMILES: CCNC1(c2ccccc2)CCC2(CC1)CN(c1ccccc1C#N)C(=O)N2.CCNC1(c2ccccc2)CCC2(CC1)CN(c1ccccc1C#N)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cccc(C#N)c3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cccc(C(N)=O)c3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCN(S(C)(=O)=O)CC3)nc1)C(=O)N2
• InChI: InChI=1S/C27H30N6O2.C27H28N6O.C25H35N7O3S.2C23H26N4O/c1-32(2)27(21-9-4-3-5-10-21)13-11-26(12-14-27)18-33(25(35)31-26)22-16-29-24(30-17-22)20-8-6-7-19(15-20)23(28)34;1-32(2)27(22-9-4-3-5-10-22)13-11-26(12-14-27)19-33(25(34)31-26)23-17-29-24(30-18-23)21-8-6-7-20(15-21)16-28;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)30-13-15-31(16-14-30)36(3,34)35;2*1-2-25-23(19-9-4-3-5-10-19)14-12-22(13-15-23)17-27(21(28)26-22)20-11-7-6-8-18(20)16-24/h3-10,15-17H,11-14,18H2,1-2H3,(H2,28,34)(H,31,35);3-10,15,17-18H,11-14,19H2,1-2H3,(H,31,34);4-8,17-18H,9-16,19H2,1-3H3,(H,28,33);2*3-11,25H,2,12-15,17H2,1H3,(H,26,28)
• InChIKey: OAKQXPCLGZTEJI-UHFFFAOYSA-N
• XLogP: 17.53
• TPSA: 427.90 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2185.78
LogP ≤ 5	17.53
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile)?

The IUPAC name of 8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile) (CID 159937361) is 8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile).

What is the SMILES notation for 8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile)?

The canonical SMILES for 8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile) is CCNC1(c2ccccc2)CCC2(CC1)CN(c1ccccc1C#N)C(=O)N2.CCNC1(c2ccccc2)CCC2(CC1)CN(c1ccccc1C#N)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cccc(C#N)c3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cccc(C(N)=O)c3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCN(S(C)(=O)=O)CC3)nc1)C(=O)N2.

What is the InChIKey of 8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile)?

The InChIKey is OAKQXPCLGZTEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2.C27H28N6O.C25H35N7O3S.2C23H26N4O/c1-32(2)27(21-9-4-3-5-10-21)13-11-26(12-14-27)18-33(25(35)31-26)22-16-29-24(30-17-22)20-8-6-7-19(15-20)23(28)34;1-32(2)27(22-9-4-3-5-10-22)13-11-26(12-14-27)19-33(25(34)31-26)23-17-29-24(30-18-23)21-8-6-7-20(15-21)16-28;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)30-13-15-31(16-14-30)36(3,34)35;2*1-2-25-23(19-9-4-3-5-10-19)14-12-22(13-15-23)17-27(21(28)26-22)20-11-7-6-8-18(20)16-24/h3-10,15-17H,11-14,18H2,1-2H3,(H2,28,34)(H,31,35);3-10,15,17-18H,11-14,19H2,1-2H3,(H,31,34);4-8,17-18H,9-16,19H2,1-3H3,(H,28,33);2*3-11,25H,2,12-15,17H2,1H3,(H,26,28).

What are the key properties of 8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile)?

8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile) has a molecular weight of 2185.78 g/mol, XLogP of 17.53, 22 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile) is sourced from PubChem (CID 159937361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).