(5Z)-5-[[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-piperidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione

C101H114N28O14 — CID 157404299

About (5Z)-5-[[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-piperidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione

(5Z)-5-[[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-piperidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione (PubChem CID 157404299) has the molecular formula C101H114N28O14 and a molecular weight of 1944.20 g/mol. Its IUPAC name is (5Z)-5-[[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-piperidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-5-[[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-piperidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione
• PubChem CID: 157404299
• Molecular Formula: C101H114N28O14
• Molecular Weight: 1944.20 g/mol
• Exact Mass: 1942.91
• IUPAC Name: (5Z)-5-[[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-piperidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione
• SMILES: CN(CCc1ccccc1)c1nccc(/C=C2\NC(=O)CC2=O)n1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(N4CCCC4)CC3)n2)N1.O=C1CC(=O)/C(=C/c2ccnc(N3CCCC3)n2)N1.O=C1CC(=O)/C(=C/c2ccnc(N3CCCCC3)n2)N1.O=C1CC(=O)/C(=C/c2ccnc(N3CCN(CC(=O)N4CCOCC4)CC3)n2)N1.O=C1CC(=O)/C(=C/c2ccnc(N3CCN(c4ccccc4)CC3)n2)N1
• InChI: InChI=1S/C19H24N6O4.C19H19N5O2.C18H23N5O2.C18H18N4O2.C14H16N4O2.C13H14N4O2/c26-16-12-17(27)22-15(16)11-14-1-2-20-19(21-14)25-5-3-23(4-6-25)13-18(28)24-7-9-29-10-8-24;25-17-13-18(26)22-16(17)12-14-6-7-20-19(21-14)24-10-8-23(9-11-24)15-4-2-1-3-5-15;24-16-12-17(25)21-15(16)11-13-3-6-19-18(20-13)23-9-4-14(5-10-23)22-7-1-2-8-22;1-22(10-8-13-5-3-2-4-6-13)18-19-9-7-14(20-18)11-15-16(23)12-17(24)21-15;19-12-9-13(20)17-11(12)8-10-4-5-15-14(16-10)18-6-2-1-3-7-18;18-11-8-12(19)16-10(11)7-9-3-4-14-13(15-9)17-5-1-2-6-17/h1-2,11H,3-10,12-13H2,(H,22,27);1-7,12H,8-11,13H2,(H,22,26);3,6,11,14H,1-2,4-5,7-10,12H2,(H,21,25);2-7,9,11H,8,10,12H2,1H3,(H,21,24);4-5,8H,1-3,6-7,9H2,(H,17,20);3-4,7H,1-2,5-6,8H2,(H,16,19)/b15-11-;16-12-;2*15-11-;11-8-;10-7-
• InChIKey: BNNQXECBRXTFSF-STCLNCOQSA-N
• XLogP: 4.08
• TPSA: 490.40 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 19
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1944.20
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'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-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-piperidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione?

The IUPAC name of (5Z)-5-[[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-piperidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione (CID 157404299) is (5Z)-5-[[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-piperidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione.

What is the SMILES notation for (5Z)-5-[[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-piperidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione?

The canonical SMILES for (5Z)-5-[[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-piperidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione is CN(CCc1ccccc1)c1nccc(/C=C2\NC(=O)CC2=O)n1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(N4CCCC4)CC3)n2)N1.O=C1CC(=O)/C(=C/c2ccnc(N3CCCC3)n2)N1.O=C1CC(=O)/C(=C/c2ccnc(N3CCCCC3)n2)N1.O=C1CC(=O)/C(=C/c2ccnc(N3CCN(CC(=O)N4CCOCC4)CC3)n2)N1.O=C1CC(=O)/C(=C/c2ccnc(N3CCN(c4ccccc4)CC3)n2)N1.

What is the InChIKey of (5Z)-5-[[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-piperidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione?

The InChIKey is BNNQXECBRXTFSF-STCLNCOQSA-N. The full InChI is InChI=1S/C19H24N6O4.C19H19N5O2.C18H23N5O2.C18H18N4O2.C14H16N4O2.C13H14N4O2/c26-16-12-17(27)22-15(16)11-14-1-2-20-19(21-14)25-5-3-23(4-6-25)13-18(28)24-7-9-29-10-8-24;25-17-13-18(26)22-16(17)12-14-6-7-20-19(21-14)24-10-8-23(9-11-24)15-4-2-1-3-5-15;24-16-12-17(25)21-15(16)11-13-3-6-19-18(20-13)23-9-4-14(5-10-23)22-7-1-2-8-22;1-22(10-8-13-5-3-2-4-6-13)18-19-9-7-14(20-18)11-15-16(23)12-17(24)21-15;19-12-9-13(20)17-11(12)8-10-4-5-15-14(16-10)18-6-2-1-3-7-18;18-11-8-12(19)16-10(11)7-9-3-4-14-13(15-9)17-5-1-2-6-17/h1-2,11H,3-10,12-13H2,(H,22,27);1-7,12H,8-11,13H2,(H,22,26);3,6,11,14H,1-2,4-5,7-10,12H2,(H,21,25);2-7,9,11H,8,10,12H2,1H3,(H,21,24);4-5,8H,1-3,6-7,9H2,(H,17,20);3-4,7H,1-2,5-6,8H2,(H,16,19)/b15-11-;16-12-;2*15-11-;11-8-;10-7-.

What are the key properties of (5Z)-5-[[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-piperidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione?

(5Z)-5-[[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-piperidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione has a molecular weight of 1944.20 g/mol, XLogP of 4.08, 19 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-piperidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methylidene]pyrrolidine-2,4-dione is sourced from PubChem (CID 157404299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).