bis(8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one

C101H124FN23O6 — CID 158097091

IUPACbis(8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(Cc2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)nc1)C(=O)N2.CN(C)C1(Cc2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccc(F)cc3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccccn3)nc1)C(=O)N2
InChIInChI=1S/C26H28FN5O.2C25H34N6O2.C25H28N6O/c1-31(2)26(20-6-4-3-5-7-20)14-12-25(13-15-26)18-32(24(33)30-25)22-16-28-23(29-17-22)19-8-10-21(27)11-9-19;2*1-29(2)25(16-20-6-4-3-5-7-20)10-8-24(9-11-25)19-31(23(32)28-24)21-17-26-22(27-18-21)30-12-14-33-15-13-30;1-30(2)25(19-8-4-3-5-9-19)13-11-24(12-14-25)18-31(23(32)29-24)20-16-27-22(28-17-20)21-10-6-7-15-26-21/h3-11,16-17H,12-15,18H2,1-2H3,(H,30,33);2*3-7,17-18H,8-16,19H2,1-2H3,(H,28,32);3-10,15-17H,11-14,18H2,1-2H3,(H,29,32)
InChIKeyFOUMPEHPCSBLDL-UHFFFAOYSA-N
MW1775.26 g/mol
LogP13.82
Rot. Bonds18

About bis(8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one

bis(8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 158097091) has the molecular formula C101H124FN23O6 and a molecular weight of 1775.26 g/mol. Its IUPAC name is bis(8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Namebis(8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
PubChem CID158097091
Molecular FormulaC101H124FN23O6
Molecular Weight1775.26 g/mol
Exact Mass1774.01
IUPAC Namebis(8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(Cc2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)nc1)C(=O)N2.CN(C)C1(Cc2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccc(F)cc3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccccn3)nc1)C(=O)N2
InChIInChI=1S/C26H28FN5O.2C25H34N6O2.C25H28N6O/c1-31(2)26(20-6-4-3-5-7-20)14-12-25(13-15-26)18-32(24(33)30-25)22-16-28-23(29-17-22)19-8-10-21(27)11-9-19;2*1-29(2)25(16-20-6-4-3-5-7-20)10-8-24(9-11-25)19-31(23(32)28-24)21-17-26-22(27-18-21)30-12-14-33-15-13-30;1-30(2)25(19-8-4-3-5-9-19)13-11-24(12-14-25)18-31(23(32)29-24)20-16-27-22(28-17-20)21-10-6-7-15-26-21/h3-11,16-17H,12-15,18H2,1-2H3,(H,30,33);2*3-7,17-18H,8-16,19H2,1-2H3,(H,28,32);3-10,15-17H,11-14,18H2,1-2H3,(H,29,32)
InChIKeyFOUMPEHPCSBLDL-UHFFFAOYSA-N
XLogP13.82
TPSA283.27 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001775.26
LogP ≤ 513.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze bis(8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

US10807988, Example SC_3294
CID 130201275
US10807988, Example SC_3336
CID 130201418
N-[4-[[4-[7-(2-fluoro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]-N-methylacetamide
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5-[2,6-bis[(3S)-3-methylmorpholin-4-yl]-7H-purin-8-yl]-1,3-dihydrobenzimidazol-2-one;(3S)-4-[2-(4,4-difluoropiperidin-1-yl)-8-(1H-indol-4-yl)-7H-purin-6-yl]-3-methylmorpholine
CID 88925583
1-[1-[[9-ethyl-2-(5-fluoroindol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-4-[[[1-[[2-(1H-indol-3-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-methylamino]methyl]pyrrolidin-2-one
CID 90775981
1,1-Bis[4-[4,6-bis(6-fluoro-3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]phenyl]-3-pyridin-3-ylurea
CID 91345077
3-(2-Cyclopropylpyrimidin-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 146418064
5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 156725863
CID 157289609
CID 157289609
4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(6-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 157335128
N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine
CID 157445607
8-Benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(piperazine-1-carbonyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrimidin-5-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
CID 157592768

Frequently Asked Questions

What is the IUPAC name of bis(8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of bis(8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one (CID 158097091) is bis(8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for bis(8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for bis(8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(Cc2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)nc1)C(=O)N2.CN(C)C1(Cc2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccc(F)cc3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccccn3)nc1)C(=O)N2.
What is the InChIKey of bis(8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is FOUMPEHPCSBLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O.2C25H34N6O2.C25H28N6O/c1-31(2)26(20-6-4-3-5-7-20)14-12-25(13-15-26)18-32(24(33)30-25)22-16-28-23(29-17-22)19-8-10-21(27)11-9-19;2*1-29(2)25(16-20-6-4-3-5-7-20)10-8-24(9-11-25)19-31(23(32)28-24)21-17-26-22(27-18-21)30-12-14-33-15-13-30;1-30(2)25(19-8-4-3-5-9-19)13-11-24(12-14-25)18-31(23(32)29-24)20-16-27-22(28-17-20)21-10-6-7-15-26-21/h3-11,16-17H,12-15,18H2,1-2H3,(H,30,33);2*3-7,17-18H,8-16,19H2,1-2H3,(H,28,32);3-10,15-17H,11-14,18H2,1-2H3,(H,29,32).
What are the key properties of bis(8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one?
bis(8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 1775.26 g/mol, XLogP of 13.82, 18 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bis(8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 158097091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).