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

C110H114FN21O9 — CID 160557040

About 5-anilino-6-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;7-(3-fluoroanilino)-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)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-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;7-(3-fluoroanilino)-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)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 160557040) has the molecular formula C110H114FN21O9 and a molecular weight of 1893.26 g/mol. Its IUPAC name is 5-anilino-6-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;7-(3-fluoroanilino)-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)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-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;7-(3-fluoroanilino)-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)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: 160557040
• Molecular Formula: C110H114FN21O9
• Molecular Weight: 1893.26 g/mol
• Exact Mass: 1891.91
• IUPAC Name: 5-anilino-6-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;7-(3-fluoroanilino)-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)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(-n4cncn4)cc3)cc21.CC(C)Cn1c(=O)n(C)c(=O)c2cn(Cc3ccc(-c4ccccn4)cc3)c(N(C)c3ccccc3)c21.CC(C)Cn1c(=O)n(C)c(=O)c2cn(Cc3ccc(-c4ccccn4)cc3)c(Nc3cccc(F)c3)c21.COc1ccc(Cn2cc3c(c2Nc2ccccc2)c(=O)n(C)c(=O)n3CC(C)C)cc1
• InChI: InChI=1S/C30H31N5O2.C29H28FN5O2.C26H27N7O2.C25H28N4O3/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;1-19(2)16-35-26-24(28(36)33(3)29(35)37)18-34(27(26)32-23-8-6-7-22(30)15-23)17-20-10-12-21(13-11-20)25-9-4-5-14-31-25;1-18(2)13-32-22-15-31(14-19-9-11-21(12-10-19)33-17-27-16-28-33)24(29-20-7-5-4-6-8-20)23(22)25(34)30(3)26(32)35;1-17(2)14-29-21-16-28(15-18-10-12-20(32-4)13-11-18)23(26-19-8-6-5-7-9-19)22(21)24(30)27(3)25(29)31/h5-17,20-21H,18-19H2,1-4H3;4-15,18-19,32H,16-17H2,1-3H3;4-12,15-18,29H,13-14H2,1-3H3;5-13,16-17,26H,14-15H2,1-4H3
• InChIKey: QYVARIHKPQVJKS-UHFFFAOYSA-N
• XLogP: 17.68
• TPSA: 300.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 28
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1893.26
LogP ≤ 5	17.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 5-anilino-6-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;7-(3-fluoroanilino)-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)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-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;7-(3-fluoroanilino)-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)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 160557040) is 5-anilino-6-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;7-(3-fluoroanilino)-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)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-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;7-(3-fluoroanilino)-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)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-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;7-(3-fluoroanilino)-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)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(-n4cncn4)cc3)cc21.CC(C)Cn1c(=O)n(C)c(=O)c2cn(Cc3ccc(-c4ccccn4)cc3)c(N(C)c3ccccc3)c21.CC(C)Cn1c(=O)n(C)c(=O)c2cn(Cc3ccc(-c4ccccn4)cc3)c(Nc3cccc(F)c3)c21.COc1ccc(Cn2cc3c(c2Nc2ccccc2)c(=O)n(C)c(=O)n3CC(C)C)cc1.

What is the InChIKey of 5-anilino-6-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;7-(3-fluoroanilino)-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)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 QYVARIHKPQVJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O2.C29H28FN5O2.C26H27N7O2.C25H28N4O3/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;1-19(2)16-35-26-24(28(36)33(3)29(35)37)18-34(27(26)32-23-8-6-7-22(30)15-23)17-20-10-12-21(13-11-20)25-9-4-5-14-31-25;1-18(2)13-32-22-15-31(14-19-9-11-21(12-10-19)33-17-27-16-28-33)24(29-20-7-5-4-6-8-20)23(22)25(34)30(3)26(32)35;1-17(2)14-29-21-16-28(15-18-10-12-20(32-4)13-11-18)23(26-19-8-6-5-7-9-19)22(21)24(30)27(3)25(29)31/h5-17,20-21H,18-19H2,1-4H3;4-15,18-19,32H,16-17H2,1-3H3;4-12,15-18,29H,13-14H2,1-3H3;5-13,16-17,26H,14-15H2,1-4H3.

What are the key properties of 5-anilino-6-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;7-(3-fluoroanilino)-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)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-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;7-(3-fluoroanilino)-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)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 1893.26 g/mol, XLogP of 17.68, 28 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-anilino-6-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;7-(3-fluoroanilino)-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)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 160557040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).