5-anilino-1-cyclopentyl-3-methyl-6-[(6-methyl-3-pyridinyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-(4-fluoroanilino)-3-methyl-1-(1-methylpyrrolidin-3-yl)-6-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-5-(N-methylanilino)-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione

C135H153FN26O11S — CID 158401909

About 5-anilino-1-cyclopentyl-3-methyl-6-[(6-methyl-3-pyridinyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-(4-fluoroanilino)-3-methyl-1-(1-methylpyrrolidin-3-yl)-6-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-5-(N-methylanilino)-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione

5-anilino-1-cyclopentyl-3-methyl-6-[(6-methyl-3-pyridinyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-(4-fluoroanilino)-3-methyl-1-(1-methylpyrrolidin-3-yl)-6-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-5-(N-methylanilino)-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 158401909) has the molecular formula C135H153FN26O11S and a molecular weight of 2366.94 g/mol. Its IUPAC name is 5-anilino-1-cyclopentyl-3-methyl-6-[(6-methyl-3-pyridinyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-(4-fluoroanilino)-3-methyl-1-(1-methylpyrrolidin-3-yl)-6-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-5-(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-1-cyclopentyl-3-methyl-6-[(6-methyl-3-pyridinyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-(4-fluoroanilino)-3-methyl-1-(1-methylpyrrolidin-3-yl)-6-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-5-(N-methylanilino)-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione
• PubChem CID: 158401909
• Molecular Formula: C135H153FN26O11S
• Molecular Weight: 2366.94 g/mol
• Exact Mass: 2365.19
• IUPAC Name: 5-anilino-1-cyclopentyl-3-methyl-6-[(6-methyl-3-pyridinyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-(4-fluoroanilino)-3-methyl-1-(1-methylpyrrolidin-3-yl)-6-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-5-(N-methylanilino)-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione
• SMILES: C=S(C)(=O)c1ccc(Cn2cc3c(c2Nc2ccccc2)c(=O)n(C)c(=O)n3CC(C)C)cc1.CC(C)Cn1c(=O)n(C)c(=O)c2c(N(C)c3ccccc3)n(Cc3ccc(-c4ccccn4)cc3)cc21.CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(CC3CCN(C(C)C)CC3)cc21.CN1CCC(n2c(=O)n(C)c(=O)c3c(Nc4ccc(F)cc4)n(Cc4ccc(-n5cccn5)cc4)cc32)C1.Cc1ccc(Cn2cc3c(c2Nc2ccccc2)c(=O)n(C)c(=O)n3C2CCCC2)cn1
• InChI: InChI=1S/C30H31N5O2.C28H28FN7O2.C26H37N5O2.C26H30N4O3S.C25H27N5O2/c1-21(2)18-35-26-20-34(19-22-13-15-23(16-14-22)25-12-8-9-17-31-25)28(27(26)29(36)33(4)30(35)37)32(3)24-10-6-5-7-11-24;1-32-15-12-23(17-32)36-24-18-34(16-19-4-10-22(11-5-19)35-14-3-13-30-35)26(25(24)27(37)33(2)28(36)38)31-21-8-6-20(29)7-9-21;1-18(2)15-31-22-17-30(16-20-11-13-29(14-12-20)19(3)4)24(27-21-9-7-6-8-10-21)23(22)25(32)28(5)26(31)33;1-18(2)15-30-22-17-29(16-19-11-13-21(14-12-19)34(4,5)33)24(27-20-9-7-6-8-10-20)23(22)25(31)28(3)26(30)32;1-17-12-13-18(14-26-17)15-29-16-21-22(23(29)27-19-8-4-3-5-9-19)24(31)28(2)25(32)30(21)20-10-6-7-11-20/h5-17,20-21H,18-19H2,1-4H3;3-11,13-14,18,23,31H,12,15-17H2,1-2H3;6-10,17-20,27H,11-16H2,1-5H3;6-14,17-18,27H,4,15-16H2,1-3,5H3;3-5,8-9,12-14,16,20,27H,6-7,10-11,15H2,1-2H3
• InChIKey: GYEYMZPRLXMDFA-UHFFFAOYSA-N
• XLogP: 20.32
• TPSA: 363.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 37
• Rotatable Bonds: 32
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2366.94
LogP ≤ 5	20.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-anilino-1-cyclopentyl-3-methyl-6-[(6-methyl-3-pyridinyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-(4-fluoroanilino)-3-methyl-1-(1-methylpyrrolidin-3-yl)-6-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-5-(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-1-cyclopentyl-3-methyl-6-[(6-methyl-3-pyridinyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-(4-fluoroanilino)-3-methyl-1-(1-methylpyrrolidin-3-yl)-6-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-5-(N-methylanilino)-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione (CID 158401909) is 5-anilino-1-cyclopentyl-3-methyl-6-[(6-methyl-3-pyridinyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-(4-fluoroanilino)-3-methyl-1-(1-methylpyrrolidin-3-yl)-6-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-5-(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-1-cyclopentyl-3-methyl-6-[(6-methyl-3-pyridinyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-(4-fluoroanilino)-3-methyl-1-(1-methylpyrrolidin-3-yl)-6-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-5-(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-1-cyclopentyl-3-methyl-6-[(6-methyl-3-pyridinyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-(4-fluoroanilino)-3-methyl-1-(1-methylpyrrolidin-3-yl)-6-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-5-(N-methylanilino)-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione is C=S(C)(=O)c1ccc(Cn2cc3c(c2Nc2ccccc2)c(=O)n(C)c(=O)n3CC(C)C)cc1.CC(C)Cn1c(=O)n(C)c(=O)c2c(N(C)c3ccccc3)n(Cc3ccc(-c4ccccn4)cc3)cc21.CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(CC3CCN(C(C)C)CC3)cc21.CN1CCC(n2c(=O)n(C)c(=O)c3c(Nc4ccc(F)cc4)n(Cc4ccc(-n5cccn5)cc4)cc32)C1.Cc1ccc(Cn2cc3c(c2Nc2ccccc2)c(=O)n(C)c(=O)n3C2CCCC2)cn1.

What is the InChIKey of 5-anilino-1-cyclopentyl-3-methyl-6-[(6-methyl-3-pyridinyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-(4-fluoroanilino)-3-methyl-1-(1-methylpyrrolidin-3-yl)-6-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-5-(N-methylanilino)-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione?

The InChIKey is GYEYMZPRLXMDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O2.C28H28FN7O2.C26H37N5O2.C26H30N4O3S.C25H27N5O2/c1-21(2)18-35-26-20-34(19-22-13-15-23(16-14-22)25-12-8-9-17-31-25)28(27(26)29(36)33(4)30(35)37)32(3)24-10-6-5-7-11-24;1-32-15-12-23(17-32)36-24-18-34(16-19-4-10-22(11-5-19)35-14-3-13-30-35)26(25(24)27(37)33(2)28(36)38)31-21-8-6-20(29)7-9-21;1-18(2)15-31-22-17-30(16-20-11-13-29(14-12-20)19(3)4)24(27-21-9-7-6-8-10-21)23(22)25(32)28(5)26(31)33;1-18(2)15-30-22-17-29(16-19-11-13-21(14-12-19)34(4,5)33)24(27-20-9-7-6-8-10-20)23(22)25(31)28(3)26(30)32;1-17-12-13-18(14-26-17)15-29-16-21-22(23(29)27-19-8-4-3-5-9-19)24(31)28(2)25(32)30(21)20-10-6-7-11-20/h5-17,20-21H,18-19H2,1-4H3;3-11,13-14,18,23,31H,12,15-17H2,1-2H3;6-10,17-20,27H,11-16H2,1-5H3;6-14,17-18,27H,4,15-16H2,1-3,5H3;3-5,8-9,12-14,16,20,27H,6-7,10-11,15H2,1-2H3.

What are the key properties of 5-anilino-1-cyclopentyl-3-methyl-6-[(6-methyl-3-pyridinyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-(4-fluoroanilino)-3-methyl-1-(1-methylpyrrolidin-3-yl)-6-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-5-(N-methylanilino)-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione?

5-anilino-1-cyclopentyl-3-methyl-6-[(6-methyl-3-pyridinyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-(4-fluoroanilino)-3-methyl-1-(1-methylpyrrolidin-3-yl)-6-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-5-(N-methylanilino)-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 2366.94 g/mol, XLogP of 20.32, 32 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-anilino-1-cyclopentyl-3-methyl-6-[(6-methyl-3-pyridinyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-6-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-(4-fluoroanilino)-3-methyl-1-(1-methylpyrrolidin-3-yl)-6-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;3-methyl-5-(N-methylanilino)-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 158401909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).