8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide

C118H154FN25O12S2 — CID 158198428

About 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide

8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide (PubChem CID 158198428) has the molecular formula C118H154FN25O12S2 and a molecular weight of 2197.82 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide
• PubChem CID: 158198428
• Molecular Formula: C118H154FN25O12S2
• Molecular Weight: 2197.82 g/mol
• Exact Mass: 2196.16
• IUPAC Name: 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide
• SMILES: CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1CS(C)(=O)=O)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCS(=O)(=O)CC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnccc1F)C(=O)N2.CN(CCO)C(=O)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.Cc1nc(N2CCOCC2)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O
• InChI: InChI=1S/C25H34N6O2.C24H32N6O3S.C24H32N6O3.C24H31N3O3S.C21H25FN4O/c1-19-21(17-26-22(27-19)30-13-15-33-16-14-30)31-18-24(28-23(31)32)9-11-25(12-10-24,29(2)3)20-7-5-4-6-8-20;1-28(2)24(19-6-4-3-5-7-19)10-8-23(9-11-24)18-30(22(31)27-23)20-16-25-21(26-17-20)29-12-14-34(32,33)15-13-29;1-28(2)24(18-7-5-4-6-8-18)11-9-23(10-12-24)17-30(22(33)27-23)19-15-25-20(26-16-19)21(32)29(3)13-14-31;1-26(2)24(20-10-5-4-6-11-20)15-13-23(14-16-24)18-27(22(28)25-23)21-12-8-7-9-19(21)17-31(3,29)30;1-25(2)21(16-6-4-3-5-7-16)11-9-20(10-12-21)15-26(19(27)24-20)18-14-23-13-8-17(18)22/h4-8,17H,9-16,18H2,1-3H3,(H,28,32);3-7,16-17H,8-15,18H2,1-2H3,(H,27,31);4-8,15-16,31H,9-14,17H2,1-3H3,(H,27,33);4-12H,13-18H2,1-3H3,(H,25,28);3-8,13-14H,9-12,15H2,1-2H3,(H,24,27)
• InChIKey: GAPXIBQZAZWKRC-UHFFFAOYSA-N
• XLogP: 13.82
• TPSA: 392.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2197.82
LogP ≤ 5	13.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide?

The IUPAC name of 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide (CID 158198428) is 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide.

What is the SMILES notation for 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide?

The canonical SMILES for 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1CS(C)(=O)=O)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCS(=O)(=O)CC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnccc1F)C(=O)N2.CN(CCO)C(=O)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.Cc1nc(N2CCOCC2)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.

What is the InChIKey of 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide?

The InChIKey is GAPXIBQZAZWKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2.C24H32N6O3S.C24H32N6O3.C24H31N3O3S.C21H25FN4O/c1-19-21(17-26-22(27-19)30-13-15-33-16-14-30)31-18-24(28-23(31)32)9-11-25(12-10-24,29(2)3)20-7-5-4-6-8-20;1-28(2)24(19-6-4-3-5-7-19)10-8-23(9-11-24)18-30(22(31)27-23)20-16-25-21(26-17-20)29-12-14-34(32,33)15-13-29;1-28(2)24(18-7-5-4-6-8-18)11-9-23(10-12-24)17-30(22(33)27-23)19-15-25-20(26-16-19)21(32)29(3)13-14-31;1-26(2)24(20-10-5-4-6-11-20)15-13-23(14-16-24)18-27(22(28)25-23)21-12-8-7-9-19(21)17-31(3,29)30;1-25(2)21(16-6-4-3-5-7-16)11-9-20(10-12-21)15-26(19(27)24-20)18-14-23-13-8-17(18)22/h4-8,17H,9-16,18H2,1-3H3,(H,28,32);3-7,16-17H,8-15,18H2,1-2H3,(H,27,31);4-8,15-16,31H,9-14,17H2,1-3H3,(H,27,33);4-12H,13-18H2,1-3H3,(H,25,28);3-8,13-14H,9-12,15H2,1-2H3,(H,24,27).

What are the key properties of 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide?

8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide has a molecular weight of 2197.82 g/mol, XLogP of 13.82, 22 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide is sourced from PubChem (CID 158198428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).