3-amino-5-bromo-1-benzofuran-2-carboxamide;2-(azetidin-3-yl)-8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;tert-butyl 3-[(5-bromo-2-carbamoyl-1-benzofuran-3-yl)carbamoyl]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)azetidine-1-carboxylate;4-methylmorpholine;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,4,6-trichloro-1,3,5-triazine

C75H81Br4Cl3N16O18 — CID 158836554

About 3-amino-5-bromo-1-benzofuran-2-carboxamide;2-(azetidin-3-yl)-8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;tert-butyl 3-[(5-bromo-2-carbamoyl-1-benzofuran-3-yl)carbamoyl]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)azetidine-1-carboxylate;4-methylmorpholine;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,4,6-trichloro-1,3,5-triazine

3-amino-5-bromo-1-benzofuran-2-carboxamide;2-(azetidin-3-yl)-8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;tert-butyl 3-[(5-bromo-2-carbamoyl-1-benzofuran-3-yl)carbamoyl]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)azetidine-1-carboxylate;4-methylmorpholine;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,4,6-trichloro-1,3,5-triazine (PubChem CID 158836554) has the molecular formula C75H81Br4Cl3N16O18 and a molecular weight of 1920.54 g/mol. Its IUPAC name is 3-amino-5-bromo-1-benzofuran-2-carboxamide;2-(azetidin-3-yl)-8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;tert-butyl 3-[(5-bromo-2-carbamoyl-1-benzofuran-3-yl)carbamoyl]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)azetidine-1-carboxylate;4-methylmorpholine;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,4,6-trichloro-1,3,5-triazine.

Molecular Properties

• Compound Name: 3-amino-5-bromo-1-benzofuran-2-carboxamide;2-(azetidin-3-yl)-8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;tert-butyl 3-[(5-bromo-2-carbamoyl-1-benzofuran-3-yl)carbamoyl]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)azetidine-1-carboxylate;4-methylmorpholine;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,4,6-trichloro-1,3,5-triazine
• PubChem CID: 158836554
• Molecular Formula: C75H81Br4Cl3N16O18
• Molecular Weight: 1920.54 g/mol
• Exact Mass: 1914.17
• IUPAC Name: 3-amino-5-bromo-1-benzofuran-2-carboxamide;2-(azetidin-3-yl)-8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;tert-butyl 3-[(5-bromo-2-carbamoyl-1-benzofuran-3-yl)carbamoyl]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)azetidine-1-carboxylate;4-methylmorpholine;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,4,6-trichloro-1,3,5-triazine
• SMILES: CC(C)(C)OC(=O)N1CC(C(=O)Nc2c(C(N)=O)oc3ccc(Br)cc23)C1.CC(C)(C)OC(=O)N1CC(C(=O)O)C1.CC(C)(C)OC(=O)N1CC(c2nc3c(oc4ccc(Br)cc43)c(=O)[nH]2)C1.CN1CCOCC1.Clc1nc(Cl)nc(Cl)n1.NC(=O)c1oc2ccc(Br)cc2c1N.O=c1[nH]c(C2CNC2)nc2c1oc1ccc(Br)cc12
• InChI: InChI=1S/C18H20BrN3O5.C18H18BrN3O4.C13H10BrN3O2.C9H7BrN2O2.C9H15NO4.C5H11NO.C3Cl3N3/c1-18(2,3)27-17(25)22-7-9(8-22)16(24)21-13-11-6-10(19)4-5-12(11)26-14(13)15(20)23;1-18(2,3)26-17(24)22-7-9(8-22)15-20-13-11-6-10(19)4-5-12(11)25-14(13)16(23)21-15;14-7-1-2-9-8(3-7)10-11(19-9)13(18)17-12(16-10)6-4-15-5-6;10-4-1-2-6-5(3-4)7(11)8(14-6)9(12)13;1-9(2,3)14-8(13)10-4-6(5-10)7(11)12;1-6-2-4-7-5-3-6;4-1-7-2(5)9-3(6)8-1/h4-6,9H,7-8H2,1-3H3,(H2,20,23)(H,21,24);4-6,9H,7-8H2,1-3H3,(H,20,21,23);1-3,6,15H,4-5H2,(H,16,17,18);1-3H,11H2,(H2,12,13);6H,4-5H2,1-3H3,(H,11,12);2-5H2,1H3
• InChIKey: IXSCWMXKZSTEBZ-UHFFFAOYSA-N
• XLogP: 13.58
• TPSA: 474.45 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 7
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1920.54
LogP ≤ 5	13.58
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1-benzofuran-2-carboxamide;2-(azetidin-3-yl)-8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;tert-butyl 3-[(5-bromo-2-carbamoyl-1-benzofuran-3-yl)carbamoyl]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)azetidine-1-carboxylate;4-methylmorpholine;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,4,6-trichloro-1,3,5-triazine?

The IUPAC name of 3-amino-5-bromo-1-benzofuran-2-carboxamide;2-(azetidin-3-yl)-8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;tert-butyl 3-[(5-bromo-2-carbamoyl-1-benzofuran-3-yl)carbamoyl]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)azetidine-1-carboxylate;4-methylmorpholine;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,4,6-trichloro-1,3,5-triazine (CID 158836554) is 3-amino-5-bromo-1-benzofuran-2-carboxamide;2-(azetidin-3-yl)-8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;tert-butyl 3-[(5-bromo-2-carbamoyl-1-benzofuran-3-yl)carbamoyl]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)azetidine-1-carboxylate;4-methylmorpholine;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,4,6-trichloro-1,3,5-triazine.

What is the SMILES notation for 3-amino-5-bromo-1-benzofuran-2-carboxamide;2-(azetidin-3-yl)-8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;tert-butyl 3-[(5-bromo-2-carbamoyl-1-benzofuran-3-yl)carbamoyl]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)azetidine-1-carboxylate;4-methylmorpholine;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,4,6-trichloro-1,3,5-triazine?

The canonical SMILES for 3-amino-5-bromo-1-benzofuran-2-carboxamide;2-(azetidin-3-yl)-8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;tert-butyl 3-[(5-bromo-2-carbamoyl-1-benzofuran-3-yl)carbamoyl]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)azetidine-1-carboxylate;4-methylmorpholine;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,4,6-trichloro-1,3,5-triazine is CC(C)(C)OC(=O)N1CC(C(=O)Nc2c(C(N)=O)oc3ccc(Br)cc23)C1.CC(C)(C)OC(=O)N1CC(C(=O)O)C1.CC(C)(C)OC(=O)N1CC(c2nc3c(oc4ccc(Br)cc43)c(=O)[nH]2)C1.CN1CCOCC1.Clc1nc(Cl)nc(Cl)n1.NC(=O)c1oc2ccc(Br)cc2c1N.O=c1[nH]c(C2CNC2)nc2c1oc1ccc(Br)cc12.

What is the InChIKey of 3-amino-5-bromo-1-benzofuran-2-carboxamide;2-(azetidin-3-yl)-8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;tert-butyl 3-[(5-bromo-2-carbamoyl-1-benzofuran-3-yl)carbamoyl]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)azetidine-1-carboxylate;4-methylmorpholine;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,4,6-trichloro-1,3,5-triazine?

The InChIKey is IXSCWMXKZSTEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O5.C18H18BrN3O4.C13H10BrN3O2.C9H7BrN2O2.C9H15NO4.C5H11NO.C3Cl3N3/c1-18(2,3)27-17(25)22-7-9(8-22)16(24)21-13-11-6-10(19)4-5-12(11)26-14(13)15(20)23;1-18(2,3)26-17(24)22-7-9(8-22)15-20-13-11-6-10(19)4-5-12(11)25-14(13)16(23)21-15;14-7-1-2-9-8(3-7)10-11(19-9)13(18)17-12(16-10)6-4-15-5-6;10-4-1-2-6-5(3-4)7(11)8(14-6)9(12)13;1-9(2,3)14-8(13)10-4-6(5-10)7(11)12;1-6-2-4-7-5-3-6;4-1-7-2(5)9-3(6)8-1/h4-6,9H,7-8H2,1-3H3,(H2,20,23)(H,21,24);4-6,9H,7-8H2,1-3H3,(H,20,21,23);1-3,6,15H,4-5H2,(H,16,17,18);1-3H,11H2,(H2,12,13);6H,4-5H2,1-3H3,(H,11,12);2-5H2,1H3;.

What are the key properties of 3-amino-5-bromo-1-benzofuran-2-carboxamide;2-(azetidin-3-yl)-8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;tert-butyl 3-[(5-bromo-2-carbamoyl-1-benzofuran-3-yl)carbamoyl]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)azetidine-1-carboxylate;4-methylmorpholine;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,4,6-trichloro-1,3,5-triazine?

3-amino-5-bromo-1-benzofuran-2-carboxamide;2-(azetidin-3-yl)-8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;tert-butyl 3-[(5-bromo-2-carbamoyl-1-benzofuran-3-yl)carbamoyl]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)azetidine-1-carboxylate;4-methylmorpholine;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,4,6-trichloro-1,3,5-triazine has a molecular weight of 1920.54 g/mol, XLogP of 13.58, 7 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-5-bromo-1-benzofuran-2-carboxamide;2-(azetidin-3-yl)-8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;tert-butyl 3-[(5-bromo-2-carbamoyl-1-benzofuran-3-yl)carbamoyl]azetidine-1-carboxylate;tert-butyl 3-(8-bromo-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)azetidine-1-carboxylate;4-methylmorpholine;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;2,4,6-trichloro-1,3,5-triazine is sourced from PubChem (CID 158836554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).