(2-amino-4-bromophenyl) formate;9-bromo-3,3-dimethyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;tert-butyl N-(2-amino-2-methylpropyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;deuterio(fluoro)methane;5,5-dimethylpiperazin-2-one;3,3-dimethyl-9-(2-pyridin-2-ylethynyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;ethyl 2-[(1-amino-2-methylpropan-2-yl)amino]acetate;ethyl 2-bromoacetate;ethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]amino]acetate;2-ethynylpyridine;2-methylpropane-1,2-diamine;phosphoryl trichloride;2,2,2-trifluoroacetaldehyde

C104H160Br3Cl3F4N19O22P — CID 158624750

About (2-amino-4-bromophenyl) formate;9-bromo-3,3-dimethyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;tert-butyl N-(2-amino-2-methylpropyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;deuterio(fluoro)methane;5,5-dimethylpiperazin-2-one;3,3-dimethyl-9-(2-pyridin-2-ylethynyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;ethyl 2-[(1-amino-2-methylpropan-2-yl)amino]acetate;ethyl 2-bromoacetate;ethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]amino]acetate;2-ethynylpyridine;2-methylpropane-1,2-diamine;phosphoryl trichloride;2,2,2-trifluoroacetaldehyde

(2-amino-4-bromophenyl) formate;9-bromo-3,3-dimethyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;tert-butyl N-(2-amino-2-methylpropyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;deuterio(fluoro)methane;5,5-dimethylpiperazin-2-one;3,3-dimethyl-9-(2-pyridin-2-ylethynyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;ethyl 2-[(1-amino-2-methylpropan-2-yl)amino]acetate;ethyl 2-bromoacetate;ethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]amino]acetate;2-ethynylpyridine;2-methylpropane-1,2-diamine;phosphoryl trichloride;2,2,2-trifluoroacetaldehyde (PubChem CID 158624750) has the molecular formula C104H160Br3Cl3F4N19O22P and a molecular weight of 2482.58 g/mol. Its IUPAC name is (2-amino-4-bromophenyl) formate;9-bromo-3,3-dimethyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;tert-butyl N-(2-amino-2-methylpropyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;deuterio(fluoro)methane;5,5-dimethylpiperazin-2-one;3,3-dimethyl-9-(2-pyridin-2-ylethynyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;ethyl 2-[(1-amino-2-methylpropan-2-yl)amino]acetate;ethyl 2-bromoacetate;ethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]amino]acetate;2-ethynylpyridine;2-methylpropane-1,2-diamine;phosphoryl trichloride;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: (2-amino-4-bromophenyl) formate;9-bromo-3,3-dimethyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;tert-butyl N-(2-amino-2-methylpropyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;deuterio(fluoro)methane;5,5-dimethylpiperazin-2-one;3,3-dimethyl-9-(2-pyridin-2-ylethynyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;ethyl 2-[(1-amino-2-methylpropan-2-yl)amino]acetate;ethyl 2-bromoacetate;ethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]amino]acetate;2-ethynylpyridine;2-methylpropane-1,2-diamine;phosphoryl trichloride;2,2,2-trifluoroacetaldehyde
• PubChem CID: 158624750
• Molecular Formula: C104H160Br3Cl3F4N19O22P
• Molecular Weight: 2482.58 g/mol
• Exact Mass: 2476.83
• IUPAC Name: (2-amino-4-bromophenyl) formate;9-bromo-3,3-dimethyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;tert-butyl N-(2-amino-2-methylpropyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;deuterio(fluoro)methane;5,5-dimethylpiperazin-2-one;3,3-dimethyl-9-(2-pyridin-2-ylethynyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;ethyl 2-[(1-amino-2-methylpropan-2-yl)amino]acetate;ethyl 2-bromoacetate;ethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]amino]acetate;2-ethynylpyridine;2-methylpropane-1,2-diamine;phosphoryl trichloride;2,2,2-trifluoroacetaldehyde
• SMILES: C#Cc1ccccn1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)(N)CN.CC(C)(N)CNC(=O)OC(C)(C)C.CC1(C)CNC(=O)CN1.CC1(C)Cn2c(nc3cc(Br)ccc3c2=O)CN1.CC1(C)Cn2c(nc3cc(C#Cc4ccccn4)ccc3c2=O)CN1.CCOC(=O)CBr.CCOC(=O)CNC(C)(C)CN.CCOC(=O)CNC(C)(C)CNC(=O)OC(C)(C)C.Nc1cc(Br)ccc1OC=O.O=CC(F)(F)F.O=P(Cl)(Cl)Cl.[2H]CF
• InChI: InChI=1S/C20H18N4O.C13H14BrN3O.C13H26N2O4.C10H18O5.C9H20N2O2.C8H18N2O2.C7H6BrNO2.C7H5N.C6H12N2O.C4H7BrO2.C4H12N2.C2HF3O.CH3F.Cl3OP/c1-20(2)13-24-18(12-22-20)23-17-11-14(7-9-16(17)19(24)25)6-8-15-5-3-4-10-21-15;1-13(2)7-17-11(6-15-13)16-10-5-8(14)3-4-9(10)12(17)18;1-7-18-10(16)8-15-13(5,6)9-14-11(17)19-12(2,3)4;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-8(2,3)13-7(12)11-6-9(4,5)10;1-4-12-7(11)5-10-8(2,3)6-9;8-5-1-2-7(11-4-10)6(9)3-5;1-2-7-5-3-4-6-8-7;1-6(2)4-7-5(9)3-8-6;1-2-7-4(6)3-5;1-4(2,6)3-5;3-2(4,5)1-6;1-2;1-5(2,3)4/h3-5,7,9-11,22H,12-13H2,1-2H3;3-5,15H,6-7H2,1-2H3;15H,7-9H2,1-6H3,(H,14,17);1-6H3;6,10H2,1-5H3,(H,11,12);10H,4-6,9H2,1-3H3;1-4H,9H2;1,3-6H;8H,3-4H2,1-2H3,(H,7,9);2-3H2,1H3;3,5-6H2,1-2H3;1H;1H3;/i;;;;;;;;;;;;1D
• InChIKey: HYLHIUZLDGAFNO-ICLSMZELSA-N
• XLogP: 16.44
• TPSA: 592.74 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 38
• Rotatable Bonds: 18
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2482.58
LogP ≤ 5	16.44
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-bromophenyl) formate;9-bromo-3,3-dimethyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;tert-butyl N-(2-amino-2-methylpropyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;deuterio(fluoro)methane;5,5-dimethylpiperazin-2-one;3,3-dimethyl-9-(2-pyridin-2-ylethynyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;ethyl 2-[(1-amino-2-methylpropan-2-yl)amino]acetate;ethyl 2-bromoacetate;ethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]amino]acetate;2-ethynylpyridine;2-methylpropane-1,2-diamine;phosphoryl trichloride;2,2,2-trifluoroacetaldehyde?

The IUPAC name of (2-amino-4-bromophenyl) formate;9-bromo-3,3-dimethyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;tert-butyl N-(2-amino-2-methylpropyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;deuterio(fluoro)methane;5,5-dimethylpiperazin-2-one;3,3-dimethyl-9-(2-pyridin-2-ylethynyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;ethyl 2-[(1-amino-2-methylpropan-2-yl)amino]acetate;ethyl 2-bromoacetate;ethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]amino]acetate;2-ethynylpyridine;2-methylpropane-1,2-diamine;phosphoryl trichloride;2,2,2-trifluoroacetaldehyde (CID 158624750) is (2-amino-4-bromophenyl) formate;9-bromo-3,3-dimethyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;tert-butyl N-(2-amino-2-methylpropyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;deuterio(fluoro)methane;5,5-dimethylpiperazin-2-one;3,3-dimethyl-9-(2-pyridin-2-ylethynyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;ethyl 2-[(1-amino-2-methylpropan-2-yl)amino]acetate;ethyl 2-bromoacetate;ethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]amino]acetate;2-ethynylpyridine;2-methylpropane-1,2-diamine;phosphoryl trichloride;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for (2-amino-4-bromophenyl) formate;9-bromo-3,3-dimethyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;tert-butyl N-(2-amino-2-methylpropyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;deuterio(fluoro)methane;5,5-dimethylpiperazin-2-one;3,3-dimethyl-9-(2-pyridin-2-ylethynyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;ethyl 2-[(1-amino-2-methylpropan-2-yl)amino]acetate;ethyl 2-bromoacetate;ethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]amino]acetate;2-ethynylpyridine;2-methylpropane-1,2-diamine;phosphoryl trichloride;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for (2-amino-4-bromophenyl) formate;9-bromo-3,3-dimethyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;tert-butyl N-(2-amino-2-methylpropyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;deuterio(fluoro)methane;5,5-dimethylpiperazin-2-one;3,3-dimethyl-9-(2-pyridin-2-ylethynyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;ethyl 2-[(1-amino-2-methylpropan-2-yl)amino]acetate;ethyl 2-bromoacetate;ethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]amino]acetate;2-ethynylpyridine;2-methylpropane-1,2-diamine;phosphoryl trichloride;2,2,2-trifluoroacetaldehyde is C#Cc1ccccn1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)(N)CN.CC(C)(N)CNC(=O)OC(C)(C)C.CC1(C)CNC(=O)CN1.CC1(C)Cn2c(nc3cc(Br)ccc3c2=O)CN1.CC1(C)Cn2c(nc3cc(C#Cc4ccccn4)ccc3c2=O)CN1.CCOC(=O)CBr.CCOC(=O)CNC(C)(C)CN.CCOC(=O)CNC(C)(C)CNC(=O)OC(C)(C)C.Nc1cc(Br)ccc1OC=O.O=CC(F)(F)F.O=P(Cl)(Cl)Cl.[2H]CF.

What is the InChIKey of (2-amino-4-bromophenyl) formate;9-bromo-3,3-dimethyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;tert-butyl N-(2-amino-2-methylpropyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;deuterio(fluoro)methane;5,5-dimethylpiperazin-2-one;3,3-dimethyl-9-(2-pyridin-2-ylethynyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;ethyl 2-[(1-amino-2-methylpropan-2-yl)amino]acetate;ethyl 2-bromoacetate;ethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]amino]acetate;2-ethynylpyridine;2-methylpropane-1,2-diamine;phosphoryl trichloride;2,2,2-trifluoroacetaldehyde?

The InChIKey is HYLHIUZLDGAFNO-ICLSMZELSA-N. The full InChI is InChI=1S/C20H18N4O.C13H14BrN3O.C13H26N2O4.C10H18O5.C9H20N2O2.C8H18N2O2.C7H6BrNO2.C7H5N.C6H12N2O.C4H7BrO2.C4H12N2.C2HF3O.CH3F.Cl3OP/c1-20(2)13-24-18(12-22-20)23-17-11-14(7-9-16(17)19(24)25)6-8-15-5-3-4-10-21-15;1-13(2)7-17-11(6-15-13)16-10-5-8(14)3-4-9(10)12(17)18;1-7-18-10(16)8-15-13(5,6)9-14-11(17)19-12(2,3)4;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-8(2,3)13-7(12)11-6-9(4,5)10;1-4-12-7(11)5-10-8(2,3)6-9;8-5-1-2-7(11-4-10)6(9)3-5;1-2-7-5-3-4-6-8-7;1-6(2)4-7-5(9)3-8-6;1-2-7-4(6)3-5;1-4(2,6)3-5;3-2(4,5)1-6;1-2;1-5(2,3)4/h3-5,7,9-11,22H,12-13H2,1-2H3;3-5,15H,6-7H2,1-2H3;15H,7-9H2,1-6H3,(H,14,17);1-6H3;6,10H2,1-5H3,(H,11,12);10H,4-6,9H2,1-3H3;1-4H,9H2;1,3-6H;8H,3-4H2,1-2H3,(H,7,9);2-3H2,1H3;3,5-6H2,1-2H3;1H;1H3;/i;;;;;;;;;;;;1D;.

What are the key properties of (2-amino-4-bromophenyl) formate;9-bromo-3,3-dimethyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;tert-butyl N-(2-amino-2-methylpropyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;deuterio(fluoro)methane;5,5-dimethylpiperazin-2-one;3,3-dimethyl-9-(2-pyridin-2-ylethynyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;ethyl 2-[(1-amino-2-methylpropan-2-yl)amino]acetate;ethyl 2-bromoacetate;ethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]amino]acetate;2-ethynylpyridine;2-methylpropane-1,2-diamine;phosphoryl trichloride;2,2,2-trifluoroacetaldehyde?

(2-amino-4-bromophenyl) formate;9-bromo-3,3-dimethyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;tert-butyl N-(2-amino-2-methylpropyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;deuterio(fluoro)methane;5,5-dimethylpiperazin-2-one;3,3-dimethyl-9-(2-pyridin-2-ylethynyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;ethyl 2-[(1-amino-2-methylpropan-2-yl)amino]acetate;ethyl 2-bromoacetate;ethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]amino]acetate;2-ethynylpyridine;2-methylpropane-1,2-diamine;phosphoryl trichloride;2,2,2-trifluoroacetaldehyde has a molecular weight of 2482.58 g/mol, XLogP of 16.44, 18 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-4-bromophenyl) formate;9-bromo-3,3-dimethyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;tert-butyl N-(2-amino-2-methylpropyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;deuterio(fluoro)methane;5,5-dimethylpiperazin-2-one;3,3-dimethyl-9-(2-pyridin-2-ylethynyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one;ethyl 2-[(1-amino-2-methylpropan-2-yl)amino]acetate;ethyl 2-bromoacetate;ethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]amino]acetate;2-ethynylpyridine;2-methylpropane-1,2-diamine;phosphoryl trichloride;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 158624750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).