5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;7-(4-hydroxyanilino)-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione

C115H122N20O9 — CID 159865055

About 5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;7-(4-hydroxyanilino)-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]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;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;7-(4-hydroxyanilino)-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 159865055) has the molecular formula C115H122N20O9 and a molecular weight of 1928.37 g/mol. Its IUPAC name is 5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;7-(4-hydroxyanilino)-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;7-(4-hydroxyanilino)-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione
• PubChem CID: 159865055
• Molecular Formula: C115H122N20O9
• Molecular Weight: 1928.37 g/mol
• Exact Mass: 1926.97
• IUPAC Name: 5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;7-(4-hydroxyanilino)-3-methyl-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(-c4ccncc4)cc3)cc21.CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(-n4cccc4)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(Nc3ccc(O)cc3)c21
• InChI: InChI=1S/C29H29N5O3.C29H35N5O2.C29H29N5O2.C28H29N5O2/c1-19(2)16-34-26-24(28(36)32(3)29(34)37)18-33(27(26)31-22-11-13-23(35)14-12-22)17-20-7-9-21(10-8-20)25-6-4-5-15-30-25;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;1-20(2)17-34-25-19-33(18-21-9-11-22(12-10-21)23-13-15-30-16-14-23)27(31-24-7-5-4-6-8-24)26(25)28(35)32(3)29(34)36;1-20(2)17-33-24-19-32(18-21-11-13-23(14-12-21)31-15-7-8-16-31)26(29-22-9-5-4-6-10-22)25(24)27(34)30(3)28(33)35/h4-15,18-19,31,35H,16-17H2,1-3H3;5-7,9-10,12-15,19-20,24,30H,8,11,16-18H2,1-4H3;4-16,19-20,31H,17-18H2,1-3H3;4-16,19-20,29H,17-18H2,1-3H3
• InChIKey: NRPYMBBIBHZJLO-UHFFFAOYSA-N
• XLogP: 19.19
• TPSA: 298.02 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 28
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1928.37
LogP ≤ 5	19.19
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;7-(4-hydroxyanilino)-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione (CID 159865055) is 5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;7-(4-hydroxyanilino)-3-methyl-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-3-methyl-1-(2-methylpropyl)-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;7-(4-hydroxyanilino)-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione?

The canonical SMILES for 5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;7-(4-hydroxyanilino)-3-methyl-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(-c4ccncc4)cc3)cc21.CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(-n4cccc4)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(Nc3ccc(O)cc3)c21.

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

The InChIKey is NRPYMBBIBHZJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O3.C29H35N5O2.C29H29N5O2.C28H29N5O2/c1-19(2)16-34-26-24(28(36)32(3)29(34)37)18-33(27(26)31-22-11-13-23(35)14-12-22)17-20-7-9-21(10-8-20)25-6-4-5-15-30-25;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;1-20(2)17-34-25-19-33(18-21-9-11-22(12-10-21)23-13-15-30-16-14-23)27(31-24-7-5-4-6-8-24)26(25)28(35)32(3)29(34)36;1-20(2)17-33-24-19-32(18-21-11-13-23(14-12-21)31-15-7-8-16-31)26(29-22-9-5-4-6-10-22)25(24)27(34)30(3)28(33)35/h4-15,18-19,31,35H,16-17H2,1-3H3;5-7,9-10,12-15,19-20,24,30H,8,11,16-18H2,1-4H3;4-16,19-20,31H,17-18H2,1-3H3;4-16,19-20,29H,17-18H2,1-3H3.

What are the key properties of 5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;7-(4-hydroxyanilino)-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]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;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;7-(4-hydroxyanilino)-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 1928.37 g/mol, XLogP of 19.19, 28 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;7-(4-hydroxyanilino)-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 159865055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).