3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one

C99H120F6N24O5 — CID 161497903

About 3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one

3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 161497903) has the molecular formula C99H120F6N24O5 and a molecular weight of 1840.20 g/mol. Its IUPAC name is 3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
• PubChem CID: 161497903
• Molecular Formula: C99H120F6N24O5
• Molecular Weight: 1840.20 g/mol
• Exact Mass: 1838.98
• IUPAC Name: 3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
• SMILES: CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(CCCO)nc1)C(=O)N2.CN(C)C1(c2nc3ccccc3n2C)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(Cc1ccccc1)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3nc4ccccc4n3C)(N(C)C)CC2)NC1=O
• InChI: InChI=1S/C28H34N6O.C25H29F3N6O.C23H26F3N7O.C23H31N5O2/c1-32(2)28(23-12-8-5-9-13-23)16-14-27(15-17-28)21-34(26(35)31-27)24-18-29-25(30-19-24)33(3)20-22-10-6-4-7-11-22;1-16-13-20(25(26,27)28)29-14-19(16)34-15-23(31-22(34)35)9-11-24(12-10-23,32(2)3)21-30-17-7-5-6-8-18(17)33(21)4;1-31(2)22(19-29-16-6-4-5-7-17(16)32(19)3)10-8-21(9-11-22)14-33(20(34)30-21)15-12-27-18(28-13-15)23(24,25)26;1-27(2)23(18-7-4-3-5-8-18)12-10-22(11-13-23)17-28(21(30)26-22)19-15-24-20(25-16-19)9-6-14-29/h4-13,18-19H,14-17,20-21H2,1-3H3,(H,31,35);5-8,13-14H,9-12,15H2,1-4H3,(H,31,35);4-7,12-13H,8-11,14H2,1-3H3,(H,30,34);3-5,7-8,15-16,29H,6,9-14,17H2,1-2H3,(H,26,30)
• InChIKey: WGLMHSYQBVZSFH-UHFFFAOYSA-N
• XLogP: 15.39
• TPSA: 291.66 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1840.20
LogP ≤ 5	15.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?

The IUPAC name of 3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one (CID 161497903) is 3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(CCCO)nc1)C(=O)N2.CN(C)C1(c2nc3ccccc3n2C)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(Cc1ccccc1)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3nc4ccccc4n3C)(N(C)C)CC2)NC1=O.

What is the InChIKey of 3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?

The InChIKey is WGLMHSYQBVZSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O.C25H29F3N6O.C23H26F3N7O.C23H31N5O2/c1-32(2)28(23-12-8-5-9-13-23)16-14-27(15-17-28)21-34(26(35)31-27)24-18-29-25(30-19-24)33(3)20-22-10-6-4-7-11-22;1-16-13-20(25(26,27)28)29-14-19(16)34-15-23(31-22(34)35)9-11-24(12-10-23,32(2)3)21-30-17-7-5-6-8-18(17)33(21)4;1-31(2)22(19-29-16-6-4-5-7-17(16)32(19)3)10-8-21(9-11-22)14-33(20(34)30-21)15-12-27-18(28-13-15)23(24,25)26;1-27(2)23(18-7-4-3-5-8-18)12-10-22(11-13-23)17-28(21(30)26-22)19-15-24-20(25-16-19)9-6-14-29/h4-13,18-19H,14-17,20-21H2,1-3H3,(H,31,35);5-8,13-14H,9-12,15H2,1-4H3,(H,31,35);4-7,12-13H,8-11,14H2,1-3H3,(H,30,34);3-5,7-8,15-16,29H,6,9-14,17H2,1-2H3,(H,26,30).

What are the key properties of 3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?

3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 1840.20 g/mol, XLogP of 15.39, 18 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 161497903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).