5-anilino-6-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-6-[(4-methoxyphenyl)methyl]-3,7-dimethyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-7-(N-methylanilino)-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione

C112H124N20O9 — CID 159507525

About 5-anilino-6-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-6-[(4-methoxyphenyl)methyl]-3,7-dimethyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-7-(N-methylanilino)-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione

5-anilino-6-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-6-[(4-methoxyphenyl)methyl]-3,7-dimethyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-7-(N-methylanilino)-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 159507525) has the molecular formula C112H124N20O9 and a molecular weight of 1894.35 g/mol. Its IUPAC name is 5-anilino-6-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-6-[(4-methoxyphenyl)methyl]-3,7-dimethyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-7-(N-methylanilino)-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-anilino-6-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-6-[(4-methoxyphenyl)methyl]-3,7-dimethyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-7-(N-methylanilino)-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione
• PubChem CID: 159507525
• Molecular Formula: C112H124N20O9
• Molecular Weight: 1894.35 g/mol
• Exact Mass: 1892.99
• IUPAC Name: 5-anilino-6-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-6-[(4-methoxyphenyl)methyl]-3,7-dimethyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-7-(N-methylanilino)-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione
• SMILES: CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(-n4ccnc4)cc3)cc21.CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(C4CCCN4C)cc3)cc21.CC(C)Cn1c(=O)n(C)c(=O)c2cn(Cc3ccc(-c4ccccn4)cc3)c(N(C)c3ccccc3)c21.COc1ccc(Cn2c(Nc3ccccc3)c3c(=O)n(C)c(=O)n(CC(C)C)c3c2C)cc1
• InChI: InChI=1S/C30H31N5O2.C29H35N5O2.C27H28N6O2.C26H30N4O3/c1-21(2)18-35-27-25(29(36)33(4)30(35)37)20-34(28(27)32(3)24-10-6-5-7-11-24)19-22-13-15-23(16-14-22)26-12-8-9-17-31-26;1-20(2)17-34-25-19-33(18-21-12-14-22(15-13-21)24-11-8-16-31(24)3)27(30-23-9-6-5-7-10-23)26(25)28(35)32(4)29(34)36;1-19(2)15-33-23-17-32(16-20-9-11-22(12-10-20)31-14-13-28-18-31)25(29-21-7-5-4-6-8-21)24(23)26(34)30(3)27(33)35;1-17(2)15-30-23-18(3)29(16-19-11-13-21(33-5)14-12-19)24(27-20-9-7-6-8-10-20)22(23)25(31)28(4)26(30)32/h5-17,20-21H,18-19H2,1-4H3;5-7,9-10,12-15,19-20,24,30H,8,11,16-18H2,1-4H3;4-14,17-19,29H,15-16H2,1-3H3;6-14,17,27H,15-16H2,1-5H3
• InChIKey: MAEMCNRRGKQQRU-UHFFFAOYSA-N
• XLogP: 18.15
• TPSA: 278.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 28
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1894.35
LogP ≤ 5	18.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 5-anilino-6-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-6-[(4-methoxyphenyl)methyl]-3,7-dimethyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-7-(N-methylanilino)-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione?

The IUPAC name of 5-anilino-6-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-6-[(4-methoxyphenyl)methyl]-3,7-dimethyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-7-(N-methylanilino)-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione (CID 159507525) is 5-anilino-6-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-6-[(4-methoxyphenyl)methyl]-3,7-dimethyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-7-(N-methylanilino)-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione.

What is the SMILES notation for 5-anilino-6-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-6-[(4-methoxyphenyl)methyl]-3,7-dimethyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-7-(N-methylanilino)-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione?

The canonical SMILES for 5-anilino-6-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-6-[(4-methoxyphenyl)methyl]-3,7-dimethyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-7-(N-methylanilino)-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione is CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(-n4ccnc4)cc3)cc21.CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(C4CCCN4C)cc3)cc21.CC(C)Cn1c(=O)n(C)c(=O)c2cn(Cc3ccc(-c4ccccn4)cc3)c(N(C)c3ccccc3)c21.COc1ccc(Cn2c(Nc3ccccc3)c3c(=O)n(C)c(=O)n(CC(C)C)c3c2C)cc1.

What is the InChIKey of 5-anilino-6-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-6-[(4-methoxyphenyl)methyl]-3,7-dimethyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-7-(N-methylanilino)-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione?

The InChIKey is MAEMCNRRGKQQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O2.C29H35N5O2.C27H28N6O2.C26H30N4O3/c1-21(2)18-35-27-25(29(36)33(4)30(35)37)20-34(28(27)32(3)24-10-6-5-7-11-24)19-22-13-15-23(16-14-22)26-12-8-9-17-31-26;1-20(2)17-34-25-19-33(18-21-12-14-22(15-13-21)24-11-8-16-31(24)3)27(30-23-9-6-5-7-10-23)26(25)28(35)32(4)29(34)36;1-19(2)15-33-23-17-32(16-20-9-11-22(12-10-20)31-14-13-28-18-31)25(29-21-7-5-4-6-8-21)24(23)26(34)30(3)27(33)35;1-17(2)15-30-23-18(3)29(16-19-11-13-21(33-5)14-12-19)24(27-20-9-7-6-8-10-20)22(23)25(31)28(4)26(30)32/h5-17,20-21H,18-19H2,1-4H3;5-7,9-10,12-15,19-20,24,30H,8,11,16-18H2,1-4H3;4-14,17-19,29H,15-16H2,1-3H3;6-14,17,27H,15-16H2,1-5H3.

What are the key properties of 5-anilino-6-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-6-[(4-methoxyphenyl)methyl]-3,7-dimethyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-7-(N-methylanilino)-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione?

5-anilino-6-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-6-[(4-methoxyphenyl)methyl]-3,7-dimethyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-7-(N-methylanilino)-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 1894.35 g/mol, XLogP of 18.15, 28 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-anilino-6-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-6-[(4-methoxyphenyl)methyl]-3,7-dimethyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-7-(N-methylanilino)-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 159507525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).