potassium;5'-[(6-amino-5-methylpyrimidin-4-yl)amino]-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-4-methoxy-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[6-[[4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide;hydroxide

C112H134BrKN20O14 — CID 158594975

IUPACpotassium;5'-[(6-amino-5-methylpyrimidin-4-yl)amino]-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-4-methoxy-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[6-[[4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide;hydroxide
SMILESCOc1c(Nc2ncnc(N)c2C)cc(C)c2c1C1(CCCCC1)NC2=O.COc1ccc(CN2C(=O)c3c(C)cc(Br)c(OC)c3C23CCCCC3)cc1.COc1ccc(CN2C(=O)c3c(C)cc(Nc4ncnc(N)c4C)c(OC)c3C23CCCCC3)cc1.COc1ccc(CN2C(=O)c3c(C)cc(Nc4ncnc(NC(=O)C5CC5)c4C)c(OC)c3C23CCCCC3)cc1.Cc1c(N)ncnc1NC(=O)C1CC1.[K+].[OH-]
InChIInChI=1S/C32H37N5O4.C28H33N5O3.C23H26BrNO3.C20H25N5O2.C9H12N4O.K.H2O/c1-19-16-24(35-28-20(2)29(34-18-33-28)36-30(38)22-10-11-22)27(41-4)26-25(19)31(39)37(32(26)14-6-5-7-15-32)17-21-8-12-23(40-3)13-9-21;1-17-14-21(32-26-18(2)25(29)30-16-31-26)24(36-4)23-22(17)27(34)33(28(23)12-6-5-7-13-28)15-19-8-10-20(35-3)11-9-19;1-15-13-18(24)21(28-3)20-19(15)22(26)25(23(20)11-5-4-6-12-23)14-16-7-9-17(27-2)10-8-16;1-11-9-13(24-18-12(2)17(21)22-10-23-18)16(27-3)15-14(11)19(26)25-20(15)7-5-4-6-8-20;1-5-7(10)11-4-12-8(5)13-9(14)6-2-3-6;;/h8-9,12-13,16,18,22H,5-7,10-11,14-15,17H2,1-4H3,(H2,33,34,35,36,38);8-11,14,16H,5-7,12-13,15H2,1-4H3,(H3,29,30,31,32);7-10,13H,4-6,11-12,14H2,1-3H3;9-10H,4-8H2,1-3H3,(H,25,26)(H3,21,22,23,24);4,6H,2-3H2,1H3,(H3,10,11,12,13,14);;1H2/q;;;;;+1;/p-1
InChIKeyHUXLIJRTNNOKDB-UHFFFAOYSA-M
MW2103.43 g/mol
LogP17.73
Rot. Bonds23

About potassium;5'-[(6-amino-5-methylpyrimidin-4-yl)amino]-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-4-methoxy-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[6-[[4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide;hydroxide

potassium;5'-[(6-amino-5-methylpyrimidin-4-yl)amino]-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-4-methoxy-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[6-[[4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide;hydroxide (PubChem CID 158594975) has the molecular formula C112H134BrKN20O14 and a molecular weight of 2103.43 g/mol. Its IUPAC name is potassium;5'-[(6-amino-5-methylpyrimidin-4-yl)amino]-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-4-methoxy-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[6-[[4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide;hydroxide.

Molecular Properties

Compound Namepotassium;5'-[(6-amino-5-methylpyrimidin-4-yl)amino]-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-4-methoxy-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[6-[[4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide;hydroxide
PubChem CID158594975
Molecular FormulaC112H134BrKN20O14
Molecular Weight2103.43 g/mol
Exact Mass2100.92
IUPAC Namepotassium;5'-[(6-amino-5-methylpyrimidin-4-yl)amino]-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-4-methoxy-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[6-[[4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide;hydroxide
SMILESCOc1c(Nc2ncnc(N)c2C)cc(C)c2c1C1(CCCCC1)NC2=O.COc1ccc(CN2C(=O)c3c(C)cc(Br)c(OC)c3C23CCCCC3)cc1.COc1ccc(CN2C(=O)c3c(C)cc(Nc4ncnc(N)c4C)c(OC)c3C23CCCCC3)cc1.COc1ccc(CN2C(=O)c3c(C)cc(Nc4ncnc(NC(=O)C5CC5)c4C)c(OC)c3C23CCCCC3)cc1.Cc1c(N)ncnc1NC(=O)C1CC1.[K+].[OH-]
InChIInChI=1S/C32H37N5O4.C28H33N5O3.C23H26BrNO3.C20H25N5O2.C9H12N4O.K.H2O/c1-19-16-24(35-28-20(2)29(34-18-33-28)36-30(38)22-10-11-22)27(41-4)26-25(19)31(39)37(32(26)14-6-5-7-15-32)17-21-8-12-23(40-3)13-9-21;1-17-14-21(32-26-18(2)25(29)30-16-31-26)24(36-4)23-22(17)27(34)33(28(23)12-6-5-7-13-28)15-19-8-10-20(35-3)11-9-19;1-15-13-18(24)21(28-3)20-19(15)22(26)25(23(20)11-5-4-6-12-23)14-16-7-9-17(27-2)10-8-16;1-11-9-13(24-18-12(2)17(21)22-10-23-18)16(27-3)15-14(11)19(26)25-20(15)7-5-4-6-8-20;1-5-7(10)11-4-12-8(5)13-9(14)6-2-3-6;;/h8-9,12-13,16,18,22H,5-7,10-11,14-15,17H2,1-4H3,(H2,33,34,35,36,38);8-11,14,16H,5-7,12-13,15H2,1-4H3,(H3,29,30,31,32);7-10,13H,4-6,11-12,14H2,1-3H3;9-10H,4-8H2,1-3H3,(H,25,26)(H3,21,22,23,24);4,6H,2-3H2,1H3,(H3,10,11,12,13,14);;1H2/q;;;;;+1;/p-1
InChIKeyHUXLIJRTNNOKDB-UHFFFAOYSA-M
XLogP17.73
TPSA460.11 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds23
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002103.43
LogP ≤ 517.73
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Analyze potassium;5'-[(6-amino-5-methylpyrimidin-4-yl)amino]-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-4-methoxy-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[6-[[4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide;hydroxide with MolForge

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Related Compounds

sodium;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-2',2'-difluoro-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;4-bromo-N-(2,2-difluorocyclohexyl)-2-iodo-N-[(4-methoxyphenyl)methyl]-6-methylbenzamide;4-bromo-N-(2,2-difluorocyclohexyl)-2-iodo-6-methylbenzamide;5'-bromo-2,2-difluoro-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;5-bromo-2',2'-difluoro-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one;4-bromo-2-iodo-6-methylbenzoic acid;2,2-difluorocyclohexan-1-amine;N-[6-[(2',2'-difluoro-7-methyl-1-oxospiro[2H-isoindole-3,1'-cyclohexane]-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide;methane;oxolane;hydroxide
CID 157971252
sodium;5'-[(6-amino-5-methylpyrimidin-4-yl)amino]-2'-[(4-methoxyphenyl)methyl]-7'-(trifluoromethyl)spiro[cyclohexane-1,3'-isoindole]-1'-one;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-7-(trifluoromethyl)spiro[2H-isoindole-3,1'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;5-bromo-2-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-3H-isoindol-1-one;5'-bromo-2'-[(4-methoxyphenyl)methyl]-7'-(trifluoromethyl)spiro[cyclohexane-1,3'-isoindole]-1'-one;methane;N-[6-[[2'-[(4-methoxyphenyl)methyl]-1'-oxo-7'-(trifluoromethyl)spiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide;hydroxide
CID 160011970
4-aminopyrimidine-5-carbonitrile;5-bromo-2-[(4-methoxyphenyl)methyl]-1',7-dimethylspiro[isoindole-3,4'-piperidine]-1-one;bis(4-[(1',7-dimethyl-1-oxospiro[2H-isoindole-3,4'-piperidine]-5-yl)amino]pyrimidine-5-carbonitrile);4-[[2-[(4-methoxyphenyl)methyl]-1',7-dimethyl-1-oxospiro[isoindole-3,4'-piperidine]-5-yl]amino]pyrimidine-5-carbonitrile
CID 157193390
potassium;bis(5-[(6-aminopyrimidin-4-yl)amino]-7-chlorospiro[2H-isoindole-3,1'-cyclohexane]-1-one);N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-7'-chloro-2'-[(4-methoxyphenyl)methyl]spiro[cyclohexane-1,3'-isoindole]-1'-one;N-[6-[[7'-chloro-2'-[(4-methoxyphenyl)methyl]-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[(7-chloro-1-oxospiro[2H-isoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide
CID 157526028
potassium;5-[(6-amino-5-methoxypyrimidin-4-yl)amino]-1'-(2,2-difluoroethyl)-2-[(4-methoxyphenyl)methyl]-7-methylspiro[isoindole-3,4'-piperidine]-1-one;bis(5-[(6-amino-5-methoxypyrimidin-4-yl)amino]-1'-(2,2-difluoroethyl)-7-methylspiro[2H-isoindole-3,4'-piperidine]-1-one);N-(6-amino-5-methoxypyrimidin-4-yl)cyclopropanecarboxamide;5-bromo-1'-(2,2-difluoroethyl)-2-[(4-methoxyphenyl)methyl]-7-methylspiro[isoindole-3,4'-piperidine]-1-one;N-[6-[[1'-(2,2-difluoroethyl)-2-[(4-methoxyphenyl)methyl]-7-methyl-1-oxospiro[isoindole-3,4'-piperidine]-5-yl]amino]-5-methoxypyrimidin-4-yl]cyclopropanecarboxamide;methane;hydroxide
CID 157665043
potassium;bis(5-[(6-amino-5-chloropyrimidin-4-yl)amino]-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one);N-(6-amino-5-chloropyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[5-chloro-6-[[2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[5-chloro-6-[(7-methyl-1-oxospiro[2H-isoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide
CID 157923274
potassium;bis(5-[(6-amino-5-methylpyrimidin-4-yl)amino]-1',7-dimethylspiro[2H-isoindole-3,4'-piperidine]-1-one);5-[(6-amino-5-methylpyrimidin-4-yl)amino]-2-[(4-methoxyphenyl)methyl]-1',7-dimethylspiro[isoindole-3,4'-piperidine]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;5-bromo-2-[(4-methoxyphenyl)methyl]-1',7-dimethylspiro[isoindole-3,4'-piperidine]-1-one;methane;N-[6-[[2-[(4-methoxyphenyl)methyl]-1',7-dimethyl-1-oxospiro[isoindole-3,4'-piperidine]-5-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide;hydroxide
CID 157987563
5-bromo-2-[(4-methoxyphenyl)methyl]-3,7-dimethyl-3H-isoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-7-methyl-3H-isoindol-1-one;bis(3,7-dimethyl-5-(pyrimidin-4-ylamino)-2,3-dihydroisoindol-1-one);2-[(4-methoxyphenyl)methyl]-3,7-dimethyl-5-(pyrimidin-4-ylamino)-3H-isoindol-1-one;pyrimidin-4-amine
CID 158159024
sodium;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-N-[(4-methoxyphenyl)methyl]-6-methylbenzamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-6-methylbenzamide;4-bromo-2-iodo-6-methylbenzoic acid;5'-bromo-2'-[(4-methoxyphenyl)methyl]-1,1,7'-trimethylspiro[cyclohexane-2,3'-isoindole]-1'-one;5-bromo-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;2,2-dimethylcyclohexan-1-amine;methane;N-[5-methyl-6-[(1',1',7-trimethyl-1-oxospiro[2H-isoindole-3,2'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane;hydroxide
CID 158345545
5-bromo-2-[(4-methoxyphenyl)methyl]-3,7-dimethyl-3H-isoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-7-methyl-3H-isoindol-1-one;7H-cyclopenta[d]pyrimidine;bis(3,7-dimethyl-5-pyrrolo[2,3-d]pyrimidin-7-yl-2,3-dihydroisoindol-1-one);methane;2-[(4-methoxyphenyl)methyl]-3,7-dimethyl-5-pyrrolo[2,3-d]pyrimidin-7-yl-3H-isoindol-1-one
CID 158355746
4-aminopyrimidine-5-carbonitrile;5-bromo-1'-(2,2-difluoroethyl)-2-[(4-methoxyphenyl)methyl]-7-methylspiro[isoindole-3,4'-piperidine]-1-one;5-bromo-1'-(2,2-difluoroethyl)-7-methylspiro[2H-isoindole-3,4'-piperidine]-1-one;bis(4-[[1'-(2,2-difluoroethyl)-7-methyl-1-oxospiro[2H-isoindole-3,4'-piperidine]-5-yl]amino]pyrimidine-5-carbonitrile)
CID 158413553
4-aminopyrimidine-5-carbonitrile;5'-bromo-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;4-[[2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]pyrimidine-5-carbonitrile;bis(4-[(7-methyl-1-oxospiro[2H-isoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidine-5-carbonitrile)
CID 158496236

Frequently Asked Questions

What is the IUPAC name of potassium;5'-[(6-amino-5-methylpyrimidin-4-yl)amino]-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-4-methoxy-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[6-[[4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide;hydroxide?
The IUPAC name of potassium;5'-[(6-amino-5-methylpyrimidin-4-yl)amino]-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-4-methoxy-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[6-[[4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide;hydroxide (CID 158594975) is potassium;5'-[(6-amino-5-methylpyrimidin-4-yl)amino]-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-4-methoxy-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[6-[[4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide;hydroxide.
What is the SMILES notation for potassium;5'-[(6-amino-5-methylpyrimidin-4-yl)amino]-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-4-methoxy-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[6-[[4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide;hydroxide?
The canonical SMILES for potassium;5'-[(6-amino-5-methylpyrimidin-4-yl)amino]-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-4-methoxy-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[6-[[4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide;hydroxide is COc1c(Nc2ncnc(N)c2C)cc(C)c2c1C1(CCCCC1)NC2=O.COc1ccc(CN2C(=O)c3c(C)cc(Br)c(OC)c3C23CCCCC3)cc1.COc1ccc(CN2C(=O)c3c(C)cc(Nc4ncnc(N)c4C)c(OC)c3C23CCCCC3)cc1.COc1ccc(CN2C(=O)c3c(C)cc(Nc4ncnc(NC(=O)C5CC5)c4C)c(OC)c3C23CCCCC3)cc1.Cc1c(N)ncnc1NC(=O)C1CC1.[K+].[OH-].
What is the InChIKey of potassium;5'-[(6-amino-5-methylpyrimidin-4-yl)amino]-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-4-methoxy-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[6-[[4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide;hydroxide?
The InChIKey is HUXLIJRTNNOKDB-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H37N5O4.C28H33N5O3.C23H26BrNO3.C20H25N5O2.C9H12N4O.K.H2O/c1-19-16-24(35-28-20(2)29(34-18-33-28)36-30(38)22-10-11-22)27(41-4)26-25(19)31(39)37(32(26)14-6-5-7-15-32)17-21-8-12-23(40-3)13-9-21;1-17-14-21(32-26-18(2)25(29)30-16-31-26)24(36-4)23-22(17)27(34)33(28(23)12-6-5-7-13-28)15-19-8-10-20(35-3)11-9-19;1-15-13-18(24)21(28-3)20-19(15)22(26)25(23(20)11-5-4-6-12-23)14-16-7-9-17(27-2)10-8-16;1-11-9-13(24-18-12(2)17(21)22-10-23-18)16(27-3)15-14(11)19(26)25-20(15)7-5-4-6-8-20;1-5-7(10)11-4-12-8(5)13-9(14)6-2-3-6;;/h8-9,12-13,16,18,22H,5-7,10-11,14-15,17H2,1-4H3,(H2,33,34,35,36,38);8-11,14,16H,5-7,12-13,15H2,1-4H3,(H3,29,30,31,32);7-10,13H,4-6,11-12,14H2,1-3H3;9-10H,4-8H2,1-3H3,(H,25,26)(H3,21,22,23,24);4,6H,2-3H2,1H3,(H3,10,11,12,13,14);;1H2/q;;;;;+1;/p-1.
What are the key properties of potassium;5'-[(6-amino-5-methylpyrimidin-4-yl)amino]-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-4-methoxy-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[6-[[4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide;hydroxide?
potassium;5'-[(6-amino-5-methylpyrimidin-4-yl)amino]-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-4-methoxy-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[6-[[4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide;hydroxide has a molecular weight of 2103.43 g/mol, XLogP of 17.73, 23 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;5'-[(6-amino-5-methylpyrimidin-4-yl)amino]-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-4-methoxy-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[6-[[4'-methoxy-2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide;hydroxide is sourced from PubChem (CID 158594975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).