5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;tert-butyl carbamate;tert-butyl N-[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]carbamate;4-chloro-6-methylpyrimidine;2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one;methane;methanol;3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-2,3-dihydroisoindol-1-one

C108H128BrClN16O18 — CID 157283797

About 5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;tert-butyl carbamate;tert-butyl N-[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]carbamate;4-chloro-6-methylpyrimidine;2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one;methane;methanol;3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-2,3-dihydroisoindol-1-one

5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;tert-butyl carbamate;tert-butyl N-[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]carbamate;4-chloro-6-methylpyrimidine;2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one;methane;methanol;3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-2,3-dihydroisoindol-1-one (PubChem CID 157283797) has the molecular formula C108H128BrClN16O18 and a molecular weight of 2053.66 g/mol. Its IUPAC name is 5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;tert-butyl carbamate;tert-butyl N-[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]carbamate;4-chloro-6-methylpyrimidine;2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one;methane;methanol;3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-2,3-dihydroisoindol-1-one.

Molecular Properties

• Compound Name: 5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;tert-butyl carbamate;tert-butyl N-[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]carbamate;4-chloro-6-methylpyrimidine;2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one;methane;methanol;3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-2,3-dihydroisoindol-1-one
• PubChem CID: 157283797
• Molecular Formula: C108H128BrClN16O18
• Molecular Weight: 2053.66 g/mol
• Exact Mass: 2050.85
• IUPAC Name: 5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;tert-butyl carbamate;tert-butyl N-[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]carbamate;4-chloro-6-methylpyrimidine;2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one;methane;methanol;3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-2,3-dihydroisoindol-1-one
• SMILES: C.CC(C)(C)OC(N)=O.CO.COc1ccc(CN2C(=O)c3ccc(Br)cc3C2C)c(OC)c1.COc1ccc(CN2C(=O)c3ccc(N)cc3C2C)c(OC)c1.COc1ccc(CN2C(=O)c3ccc(NC(=O)OC(C)(C)C)cc3C2C)c(OC)c1.COc1ccc(CN2C(=O)c3ccc(Nc4cc(C)ncn4)cc3C2C)c(OC)c1.Cc1cc(Cl)ncn1.Cc1cc(Nc2ccc3c(c2)C(C)NC3=O)ncn1
• InChI: InChI=1S/C23H24N4O3.C23H28N2O5.C18H18BrNO3.C18H20N2O3.C14H14N4O.C5H5ClN2.C5H11NO2.CH4O.CH4/c1-14-9-22(25-13-24-14)26-17-6-8-19-20(10-17)15(2)27(23(19)28)12-16-5-7-18(29-3)11-21(16)30-4;1-14-19-11-16(24-22(27)30-23(2,3)4)8-10-18(19)21(26)25(14)13-15-7-9-17(28-5)12-20(15)29-6;2*1-11-16-8-13(19)5-7-15(16)18(21)20(11)10-12-4-6-14(22-2)9-17(12)23-3;1-8-5-13(16-7-15-8)18-10-3-4-11-12(6-10)9(2)17-14(11)19;1-4-2-5(6)8-3-7-4;1-5(2,3)8-4(6)7;1-2;/h5-11,13,15H,12H2,1-4H3,(H,24,25,26);7-12,14H,13H2,1-6H3,(H,24,27);4-9,11H,10H2,1-3H3;4-9,11H,10,19H2,1-3H3;3-7,9H,1-2H3,(H,17,19)(H,15,16,18);2-3H,1H3;1-3H3,(H2,6,7);2H,1H3;1H4
• InChIKey: AZZHTSMPIRINBM-UHFFFAOYSA-N
• XLogP: 21.11
• TPSA: 422.48 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2053.66
LogP ≤ 5	21.11
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;tert-butyl carbamate;tert-butyl N-[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]carbamate;4-chloro-6-methylpyrimidine;2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one;methane;methanol;3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-2,3-dihydroisoindol-1-one?

The IUPAC name of 5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;tert-butyl carbamate;tert-butyl N-[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]carbamate;4-chloro-6-methylpyrimidine;2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one;methane;methanol;3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-2,3-dihydroisoindol-1-one (CID 157283797) is 5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;tert-butyl carbamate;tert-butyl N-[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]carbamate;4-chloro-6-methylpyrimidine;2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one;methane;methanol;3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-2,3-dihydroisoindol-1-one.

What is the SMILES notation for 5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;tert-butyl carbamate;tert-butyl N-[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]carbamate;4-chloro-6-methylpyrimidine;2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one;methane;methanol;3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-2,3-dihydroisoindol-1-one?

The canonical SMILES for 5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;tert-butyl carbamate;tert-butyl N-[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]carbamate;4-chloro-6-methylpyrimidine;2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one;methane;methanol;3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-2,3-dihydroisoindol-1-one is C.CC(C)(C)OC(N)=O.CO.COc1ccc(CN2C(=O)c3ccc(Br)cc3C2C)c(OC)c1.COc1ccc(CN2C(=O)c3ccc(N)cc3C2C)c(OC)c1.COc1ccc(CN2C(=O)c3ccc(NC(=O)OC(C)(C)C)cc3C2C)c(OC)c1.COc1ccc(CN2C(=O)c3ccc(Nc4cc(C)ncn4)cc3C2C)c(OC)c1.Cc1cc(Cl)ncn1.Cc1cc(Nc2ccc3c(c2)C(C)NC3=O)ncn1.

What is the InChIKey of 5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;tert-butyl carbamate;tert-butyl N-[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]carbamate;4-chloro-6-methylpyrimidine;2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one;methane;methanol;3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-2,3-dihydroisoindol-1-one?

The InChIKey is AZZHTSMPIRINBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3.C23H28N2O5.C18H18BrNO3.C18H20N2O3.C14H14N4O.C5H5ClN2.C5H11NO2.CH4O.CH4/c1-14-9-22(25-13-24-14)26-17-6-8-19-20(10-17)15(2)27(23(19)28)12-16-5-7-18(29-3)11-21(16)30-4;1-14-19-11-16(24-22(27)30-23(2,3)4)8-10-18(19)21(26)25(14)13-15-7-9-17(28-5)12-20(15)29-6;2*1-11-16-8-13(19)5-7-15(16)18(21)20(11)10-12-4-6-14(22-2)9-17(12)23-3;1-8-5-13(16-7-15-8)18-10-3-4-11-12(6-10)9(2)17-14(11)19;1-4-2-5(6)8-3-7-4;1-5(2,3)8-4(6)7;1-2;/h5-11,13,15H,12H2,1-4H3,(H,24,25,26);7-12,14H,13H2,1-6H3,(H,24,27);4-9,11H,10H2,1-3H3;4-9,11H,10,19H2,1-3H3;3-7,9H,1-2H3,(H,17,19)(H,15,16,18);2-3H,1H3;1-3H3,(H2,6,7);2H,1H3;1H4.

What are the key properties of 5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;tert-butyl carbamate;tert-butyl N-[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]carbamate;4-chloro-6-methylpyrimidine;2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one;methane;methanol;3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-2,3-dihydroisoindol-1-one?

5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;tert-butyl carbamate;tert-butyl N-[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]carbamate;4-chloro-6-methylpyrimidine;2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one;methane;methanol;3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-2,3-dihydroisoindol-1-one has a molecular weight of 2053.66 g/mol, XLogP of 21.11, 21 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;tert-butyl carbamate;tert-butyl N-[2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]carbamate;4-chloro-6-methylpyrimidine;2-[(2,4-dimethoxyphenyl)methyl]-3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-3H-isoindol-1-one;methane;methanol;3-methyl-5-[(6-methylpyrimidin-4-yl)amino]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 157283797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).