5-butyl-2-[(4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(spiro[2.5]octan-6-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethyl N-[4-[[5-(2-cyclopentylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;ethyl 4-[[5-(4,4-dimethylpentyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate;ethyl N-[4-[[5-(3-methylbutyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-5-(3-methylbutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C122H158FN21O30 — CID 123174108

About 5-butyl-2-[(4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(spiro[2.5]octan-6-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethyl N-[4-[[5-(2-cyclopentylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;ethyl 4-[[5-(4,4-dimethylpentyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate;ethyl N-[4-[[5-(3-methylbutyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-5-(3-methylbutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione

5-butyl-2-[(4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(spiro[2.5]octan-6-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethyl N-[4-[[5-(2-cyclopentylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;ethyl 4-[[5-(4,4-dimethylpentyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate;ethyl N-[4-[[5-(3-methylbutyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-5-(3-methylbutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 123174108) has the molecular formula C122H158FN21O30 and a molecular weight of 2417.72 g/mol. Its IUPAC name is 5-butyl-2-[(4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(spiro[2.5]octan-6-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethyl N-[4-[[5-(2-cyclopentylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;ethyl 4-[[5-(4,4-dimethylpentyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate;ethyl N-[4-[[5-(3-methylbutyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-5-(3-methylbutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

• Compound Name: 5-butyl-2-[(4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(spiro[2.5]octan-6-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethyl N-[4-[[5-(2-cyclopentylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;ethyl 4-[[5-(4,4-dimethylpentyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate;ethyl N-[4-[[5-(3-methylbutyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-5-(3-methylbutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
• PubChem CID: 123174108
• Molecular Formula: C122H158FN21O30
• Molecular Weight: 2417.72 g/mol
• Exact Mass: 2416.15
• IUPAC Name: 5-butyl-2-[(4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(spiro[2.5]octan-6-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethyl N-[4-[[5-(2-cyclopentylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;ethyl 4-[[5-(4,4-dimethylpentyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate;ethyl N-[4-[[5-(3-methylbutyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-5-(3-methylbutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
• SMILES: CC(C)CCc1cc(=O)oc2nc(ON=C3CCC(C)(F)CC3)[nH]c(=O)c12.CCCCc1cc(=O)oc2nc(ON=C3CCC(C)CC3)[nH]c(=O)c12.CCCCc1cc(=O)oc2nc(ON=C3CCC4(CC3)CC4)[nH]c(=O)c12.CCOC(=O)N1CCC(=NOc2nc3oc(=O)cc(CCCC(C)(C)C)c3c(=O)[nH]2)CC1.CCOC(=O)NC1CCC(=NOc2nc3oc(=O)cc(CCC(C)C)c3c(=O)[nH]2)CC1.CCOC(=O)NC1CCC(=NOc2nc3oc(=O)cc(CCC4CCCC4)c3c(=O)[nH]2)CC1
• InChI: InChI=1S/C23H30N4O6.C22H30N4O6.C21H28N4O6.C19H24FN3O4.C19H23N3O4.C18H23N3O4/c1-2-31-23(30)24-16-9-11-17(12-10-16)27-33-22-25-20(29)19-15(8-7-14-5-3-4-6-14)13-18(28)32-21(19)26-22;1-5-30-21(29)26-11-8-15(9-12-26)25-32-20-23-18(28)17-14(7-6-10-22(2,3)4)13-16(27)31-19(17)24-20;1-4-29-21(28)22-14-7-9-15(10-8-14)25-31-20-23-18(27)17-13(6-5-12(2)3)11-16(26)30-19(17)24-20;1-11(2)4-5-12-10-14(24)26-17-15(12)16(25)21-18(22-17)27-23-13-6-8-19(3,20)9-7-13;1-2-3-4-12-11-14(23)25-17-15(12)16(24)20-18(21-17)26-22-13-5-7-19(8-6-13)9-10-19;1-3-4-5-12-10-14(22)24-17-15(12)16(23)19-18(20-17)25-21-13-8-6-11(2)7-9-13/h13-14,16H,2-12H2,1H3,(H,24,30)(H,25,26,29);13H,5-12H2,1-4H3,(H,23,24,28);11-12,14H,4-10H2,1-3H3,(H,22,28)(H,23,24,27);10-11H,4-9H2,1-3H3,(H,21,22,25);11H,2-10H2,1H3,(H,20,21,24);10-11H,3-9H2,1-2H3,(H,19,20,23)/b27-17-;;25-15-;23-13-;;21-13-
• InChIKey: CQRPUUSTZKTOTN-DKLOUXDQSA-N
• XLogP: 19.52
• TPSA: 691.50 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 42
• Rotatable Bonds: 35
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2417.72
LogP ≤ 5	19.52
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-[(4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(spiro[2.5]octan-6-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethyl N-[4-[[5-(2-cyclopentylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;ethyl 4-[[5-(4,4-dimethylpentyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate;ethyl N-[4-[[5-(3-methylbutyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-5-(3-methylbutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?

The IUPAC name of 5-butyl-2-[(4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(spiro[2.5]octan-6-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethyl N-[4-[[5-(2-cyclopentylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;ethyl 4-[[5-(4,4-dimethylpentyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate;ethyl N-[4-[[5-(3-methylbutyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-5-(3-methylbutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 123174108) is 5-butyl-2-[(4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(spiro[2.5]octan-6-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethyl N-[4-[[5-(2-cyclopentylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;ethyl 4-[[5-(4,4-dimethylpentyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate;ethyl N-[4-[[5-(3-methylbutyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-5-(3-methylbutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

What is the SMILES notation for 5-butyl-2-[(4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(spiro[2.5]octan-6-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethyl N-[4-[[5-(2-cyclopentylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;ethyl 4-[[5-(4,4-dimethylpentyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate;ethyl N-[4-[[5-(3-methylbutyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-5-(3-methylbutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?

The canonical SMILES for 5-butyl-2-[(4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(spiro[2.5]octan-6-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethyl N-[4-[[5-(2-cyclopentylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;ethyl 4-[[5-(4,4-dimethylpentyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate;ethyl N-[4-[[5-(3-methylbutyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-5-(3-methylbutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CC(C)CCc1cc(=O)oc2nc(ON=C3CCC(C)(F)CC3)[nH]c(=O)c12.CCCCc1cc(=O)oc2nc(ON=C3CCC(C)CC3)[nH]c(=O)c12.CCCCc1cc(=O)oc2nc(ON=C3CCC4(CC3)CC4)[nH]c(=O)c12.CCOC(=O)N1CCC(=NOc2nc3oc(=O)cc(CCCC(C)(C)C)c3c(=O)[nH]2)CC1.CCOC(=O)NC1CCC(=NOc2nc3oc(=O)cc(CCC(C)C)c3c(=O)[nH]2)CC1.CCOC(=O)NC1CCC(=NOc2nc3oc(=O)cc(CCC4CCCC4)c3c(=O)[nH]2)CC1.

What is the InChIKey of 5-butyl-2-[(4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(spiro[2.5]octan-6-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethyl N-[4-[[5-(2-cyclopentylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;ethyl 4-[[5-(4,4-dimethylpentyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate;ethyl N-[4-[[5-(3-methylbutyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-5-(3-methylbutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?

The InChIKey is CQRPUUSTZKTOTN-DKLOUXDQSA-N. The full InChI is InChI=1S/C23H30N4O6.C22H30N4O6.C21H28N4O6.C19H24FN3O4.C19H23N3O4.C18H23N3O4/c1-2-31-23(30)24-16-9-11-17(12-10-16)27-33-22-25-20(29)19-15(8-7-14-5-3-4-6-14)13-18(28)32-21(19)26-22;1-5-30-21(29)26-11-8-15(9-12-26)25-32-20-23-18(28)17-14(7-6-10-22(2,3)4)13-16(27)31-19(17)24-20;1-4-29-21(28)22-14-7-9-15(10-8-14)25-31-20-23-18(27)17-13(6-5-12(2)3)11-16(26)30-19(17)24-20;1-11(2)4-5-12-10-14(24)26-17-15(12)16(25)21-18(22-17)27-23-13-6-8-19(3,20)9-7-13;1-2-3-4-12-11-14(23)25-17-15(12)16(24)20-18(21-17)26-22-13-5-7-19(8-6-13)9-10-19;1-3-4-5-12-10-14(22)24-17-15(12)16(23)19-18(20-17)25-21-13-8-6-11(2)7-9-13/h13-14,16H,2-12H2,1H3,(H,24,30)(H,25,26,29);13H,5-12H2,1-4H3,(H,23,24,28);11-12,14H,4-10H2,1-3H3,(H,22,28)(H,23,24,27);10-11H,4-9H2,1-3H3,(H,21,22,25);11H,2-10H2,1H3,(H,20,21,24);10-11H,3-9H2,1-2H3,(H,19,20,23)/b27-17-;;25-15-;23-13-;;21-13-.

What are the key properties of 5-butyl-2-[(4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(spiro[2.5]octan-6-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethyl N-[4-[[5-(2-cyclopentylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;ethyl 4-[[5-(4,4-dimethylpentyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate;ethyl N-[4-[[5-(3-methylbutyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-5-(3-methylbutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?

5-butyl-2-[(4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(spiro[2.5]octan-6-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethyl N-[4-[[5-(2-cyclopentylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;ethyl 4-[[5-(4,4-dimethylpentyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate;ethyl N-[4-[[5-(3-methylbutyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-5-(3-methylbutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 2417.72 g/mol, XLogP of 19.52, 35 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 5-butyl-2-[(4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(spiro[2.5]octan-6-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethyl N-[4-[[5-(2-cyclopentylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;ethyl 4-[[5-(4,4-dimethylpentyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate;ethyl N-[4-[[5-(3-methylbutyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]cyclohexyl]carbamate;2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-5-(3-methylbutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 123174108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).