(5Z)-5-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione

C110H114N30O14 — CID 161038265

About (5Z)-5-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione

(5Z)-5-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione (PubChem CID 161038265) has the molecular formula C110H114N30O14 and a molecular weight of 2080.32 g/mol. Its IUPAC name is (5Z)-5-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-5-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione
• PubChem CID: 161038265
• Molecular Formula: C110H114N30O14
• Molecular Weight: 2080.32 g/mol
• Exact Mass: 2078.91
• IUPAC Name: (5Z)-5-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione
• SMILES: CC(C)N1CCN(c2nccc(/C=C3\NC(=O)CC3=O)n2)CC1.CN(CCc1ccccn1)c1nccc(/C=C2\NC(=O)CC2=O)n1.Cc1ccc(N2CCN(c3nccc(/C=C4\NC(=O)CC4=O)n3)CC2)cc1.O=C1CC(=O)/C(=C/c2ccnc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)N1.O=C1CC(=O)/C(=C/c2ccnc(N3CCN(c4ccccn4)CC3)n2)N1.O=C1CC(=O)/C(=C/c2ccnc(N3CCc4ccccc4C3)n2)N1
• InChI: InChI=1S/C21H21N5O4.C20H21N5O2.C18H18N6O2.C18H16N4O2.C17H17N5O2.C16H21N5O2/c27-17-11-20(28)24-16(17)10-15-3-4-22-21(23-15)26-7-5-25(6-8-26)12-14-1-2-18-19(9-14)30-13-29-18;1-14-2-4-16(5-3-14)24-8-10-25(11-9-24)20-21-7-6-15(22-20)12-17-18(26)13-19(27)23-17;25-15-12-17(26)22-14(15)11-13-4-6-20-18(21-13)24-9-7-23(8-10-24)16-3-1-2-5-19-16;23-16-10-17(24)21-15(16)9-14-5-7-19-18(20-14)22-8-6-12-3-1-2-4-13(12)11-22;1-22(9-6-12-4-2-3-7-18-12)17-19-8-5-13(20-17)10-14-15(23)11-16(24)21-14;1-11(2)20-5-7-21(8-6-20)16-17-4-3-12(18-16)9-13-14(22)10-15(23)19-13/h1-4,9-10H,5-8,11-13H2,(H,24,28);2-7,12H,8-11,13H2,1H3,(H,23,27);1-6,11H,7-10,12H2,(H,22,26);1-5,7,9H,6,8,10-11H2,(H,21,24);2-5,7-8,10H,6,9,11H2,1H3,(H,21,24);3-4,9,11H,5-8,10H2,1-2H3,(H,19,23)/b16-10-;17-12-;14-11-;15-9-;14-10-;13-9-
• InChIKey: UANSRHVQAPVENY-NGGOYLRBSA-N
• XLogP: 6.01
• TPSA: 508.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 20
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2080.32
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione?

The IUPAC name of (5Z)-5-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione (CID 161038265) is (5Z)-5-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione.

What is the SMILES notation for (5Z)-5-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione?

The canonical SMILES for (5Z)-5-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione is CC(C)N1CCN(c2nccc(/C=C3\NC(=O)CC3=O)n2)CC1.CN(CCc1ccccn1)c1nccc(/C=C2\NC(=O)CC2=O)n1.Cc1ccc(N2CCN(c3nccc(/C=C4\NC(=O)CC4=O)n3)CC2)cc1.O=C1CC(=O)/C(=C/c2ccnc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)N1.O=C1CC(=O)/C(=C/c2ccnc(N3CCN(c4ccccn4)CC3)n2)N1.O=C1CC(=O)/C(=C/c2ccnc(N3CCc4ccccc4C3)n2)N1.

What is the InChIKey of (5Z)-5-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione?

The InChIKey is UANSRHVQAPVENY-NGGOYLRBSA-N. The full InChI is InChI=1S/C21H21N5O4.C20H21N5O2.C18H18N6O2.C18H16N4O2.C17H17N5O2.C16H21N5O2/c27-17-11-20(28)24-16(17)10-15-3-4-22-21(23-15)26-7-5-25(6-8-26)12-14-1-2-18-19(9-14)30-13-29-18;1-14-2-4-16(5-3-14)24-8-10-25(11-9-24)20-21-7-6-15(22-20)12-17-18(26)13-19(27)23-17;25-15-12-17(26)22-14(15)11-13-4-6-20-18(21-13)24-9-7-23(8-10-24)16-3-1-2-5-19-16;23-16-10-17(24)21-15(16)9-14-5-7-19-18(20-14)22-8-6-12-3-1-2-4-13(12)11-22;1-22(9-6-12-4-2-3-7-18-12)17-19-8-5-13(20-17)10-14-15(23)11-16(24)21-14;1-11(2)20-5-7-21(8-6-20)16-17-4-3-12(18-16)9-13-14(22)10-15(23)19-13/h1-4,9-10H,5-8,11-13H2,(H,24,28);2-7,12H,8-11,13H2,1H3,(H,23,27);1-6,11H,7-10,12H2,(H,22,26);1-5,7,9H,6,8,10-11H2,(H,21,24);2-5,7-8,10H,6,9,11H2,1H3,(H,21,24);3-4,9,11H,5-8,10H2,1-2H3,(H,19,23)/b16-10-;17-12-;14-11-;15-9-;14-10-;13-9-.

What are the key properties of (5Z)-5-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione?

(5Z)-5-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione has a molecular weight of 2080.32 g/mol, XLogP of 6.01, 20 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione is sourced from PubChem (CID 161038265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).