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

C92H97BrN24O6 — CID 157193390

About 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

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 (PubChem CID 157193390) has the molecular formula C92H97BrN24O6 and a molecular weight of 1714.85 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157193390
• Molecular Formula: C92H97BrN24O6
• Molecular Weight: 1714.85 g/mol
• Exact Mass: 1712.72
• IUPAC Name: 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
• SMILES: COc1ccc(CN2C(=O)c3c(C)cc(Br)cc3C23CCN(C)CC3)cc1.COc1ccc(CN2C(=O)c3c(C)cc(Nc4ncncc4C#N)cc3C23CCN(C)CC3)cc1.Cc1cc(Nc2ncncc2C#N)cc2c1C(=O)NC21CCN(C)CC1.Cc1cc(Nc2ncncc2C#N)cc2c1C(=O)NC21CCN(C)CC1.N#Cc1cncnc1N
• InChI: InChI=1S/C27H28N6O2.C22H25BrN2O2.2C19H20N6O.C5H4N4/c1-18-12-21(31-25-20(14-28)15-29-17-30-25)13-23-24(18)26(34)33(27(23)8-10-32(2)11-9-27)16-19-4-6-22(35-3)7-5-19;1-15-12-17(23)13-19-20(15)21(26)25(22(19)8-10-24(2)11-9-22)14-16-4-6-18(27-3)7-5-16;2*1-12-7-14(23-17-13(9-20)10-21-11-22-17)8-15-16(12)18(26)24-19(15)3-5-25(2)6-4-19;6-1-4-2-8-3-9-5(4)7/h4-7,12-13,15,17H,8-11,16H2,1-3H3,(H,29,30,31);4-7,12-13H,8-11,14H2,1-3H3;2*7-8,10-11H,3-6H2,1-2H3,(H,24,26)(H,21,22,23);2-3H,(H2,7,8,9)
• InChIKey: APYPMLNZEBDWCF-UHFFFAOYSA-N
• XLogP: 12.39
• TPSA: 390.63 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1714.85
LogP ≤ 5	12.39
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COc1ccc(CN2C(=O)c3c(C)cc(Br)cc3C23CCN(C)CC3)cc1.COc1ccc(CN2C(=O)c3c(C)cc(Nc4ncncc4C#N)cc3C23CCN(C)CC3)cc1.Cc1cc(Nc2ncncc2C#N)cc2c1C(=O)NC21CCN(C)CC1.Cc1cc(Nc2ncncc2C#N)cc2c1C(=O)NC21CCN(C)CC1.N#Cc1cncnc1N.

What is the InChIKey of 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?

The InChIKey is APYPMLNZEBDWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2.C22H25BrN2O2.2C19H20N6O.C5H4N4/c1-18-12-21(31-25-20(14-28)15-29-17-30-25)13-23-24(18)26(34)33(27(23)8-10-32(2)11-9-27)16-19-4-6-22(35-3)7-5-19;1-15-12-17(23)13-19-20(15)21(26)25(22(19)8-10-24(2)11-9-22)14-16-4-6-18(27-3)7-5-16;2*1-12-7-14(23-17-13(9-20)10-21-11-22-17)8-15-16(12)18(26)24-19(15)3-5-25(2)6-4-19;6-1-4-2-8-3-9-5(4)7/h4-7,12-13,15,17H,8-11,16H2,1-3H3,(H,29,30,31);4-7,12-13H,8-11,14H2,1-3H3;2*7-8,10-11H,3-6H2,1-2H3,(H,24,26)(H,21,22,23);2-3H,(H2,7,8,9).

What are the key properties of 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?

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 has a molecular weight of 1714.85 g/mol, XLogP of 12.39, 12 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157193390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).