2-amino-7-bromo-5-(dimethylamino)-3H-quinazolin-4-one;3-[[2-amino-7-bromo-5-(dimethylamino)quinazolin-4-yl]amino]propan-1-ol;3-[[2-amino-5-(dimethylamino)-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol;3-aminopropan-1-ol;guanidine;methyl 4-bromo-2,6-difluorobenzoate;methyl 4-bromo-2-(dimethylamino)-6-fluorobenzoate;propane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole;hydrochloride

C74H105BBr4ClF3N22O10 — CID 165106522

About 2-amino-7-bromo-5-(dimethylamino)-3H-quinazolin-4-one;3-[[2-amino-7-bromo-5-(dimethylamino)quinazolin-4-yl]amino]propan-1-ol;3-[[2-amino-5-(dimethylamino)-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol;3-aminopropan-1-ol;guanidine;methyl 4-bromo-2,6-difluorobenzoate;methyl 4-bromo-2-(dimethylamino)-6-fluorobenzoate;propane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole;hydrochloride

2-amino-7-bromo-5-(dimethylamino)-3H-quinazolin-4-one;3-[[2-amino-7-bromo-5-(dimethylamino)quinazolin-4-yl]amino]propan-1-ol;3-[[2-amino-5-(dimethylamino)-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol;3-aminopropan-1-ol;guanidine;methyl 4-bromo-2,6-difluorobenzoate;methyl 4-bromo-2-(dimethylamino)-6-fluorobenzoate;propane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole;hydrochloride (PubChem CID 165106522) has the molecular formula C74H105BBr4ClF3N22O10 and a molecular weight of 1885.67 g/mol. Its IUPAC name is 2-amino-7-bromo-5-(dimethylamino)-3H-quinazolin-4-one;3-[[2-amino-7-bromo-5-(dimethylamino)quinazolin-4-yl]amino]propan-1-ol;3-[[2-amino-5-(dimethylamino)-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol;3-aminopropan-1-ol;guanidine;methyl 4-bromo-2,6-difluorobenzoate;methyl 4-bromo-2-(dimethylamino)-6-fluorobenzoate;propane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole;hydrochloride.

Molecular Properties

• Compound Name: 2-amino-7-bromo-5-(dimethylamino)-3H-quinazolin-4-one;3-[[2-amino-7-bromo-5-(dimethylamino)quinazolin-4-yl]amino]propan-1-ol;3-[[2-amino-5-(dimethylamino)-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol;3-aminopropan-1-ol;guanidine;methyl 4-bromo-2,6-difluorobenzoate;methyl 4-bromo-2-(dimethylamino)-6-fluorobenzoate;propane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole;hydrochloride
• PubChem CID: 165106522
• Molecular Formula: C74H105BBr4ClF3N22O10
• Molecular Weight: 1885.67 g/mol
• Exact Mass: 1880.49
• IUPAC Name: 2-amino-7-bromo-5-(dimethylamino)-3H-quinazolin-4-one;3-[[2-amino-7-bromo-5-(dimethylamino)quinazolin-4-yl]amino]propan-1-ol;3-[[2-amino-5-(dimethylamino)-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol;3-aminopropan-1-ol;guanidine;methyl 4-bromo-2,6-difluorobenzoate;methyl 4-bromo-2-(dimethylamino)-6-fluorobenzoate;propane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole;hydrochloride
• SMILES: CC1(C)OB(C2=CC=NC2)OC1(C)C.CCC.CN(C)c1cc(-c2ccn[nH]2)cc2nc(N)nc(NCCCO)c12.CN(C)c1cc(Br)cc2nc(N)[nH]c(=O)c12.CN(C)c1cc(Br)cc2nc(N)nc(NCCCO)c12.COC(=O)c1c(F)cc(Br)cc1F.COC(=O)c1c(F)cc(Br)cc1N(C)C.Cl.NCCCO.[H]N=C(N)N
• InChI: InChI=1S/C16H21N7O.C13H18BrN5O.C10H16BNO2.C10H11BrFNO2.C10H11BrN4O.C8H5BrF2O2.C3H9NO.C3H8.CH5N3.ClH/c1-23(2)13-9-10(11-4-6-19-22-11)8-12-14(13)15(18-5-3-7-24)21-16(17)20-12;1-19(2)10-7-8(14)6-9-11(10)12(16-4-3-5-20)18-13(15)17-9;1-9(2)10(3,4)14-11(13-9)8-5-6-12-7-8;1-13(2)8-5-6(11)4-7(12)9(8)10(14)15-3;1-15(2)7-4-5(11)3-6-8(7)9(16)14-10(12)13-6;1-13-8(12)7-5(10)2-4(9)3-6(7)11;4-2-1-3-5;1-3-2;2-1(3)4;/h4,6,8-9,24H,3,5,7H2,1-2H3,(H,19,22)(H3,17,18,20,21);6-7,20H,3-5H2,1-2H3,(H3,15,16,17,18);5-6H,7H2,1-4H3;4-5H,1-3H3;3-4H,1-2H3,(H3,12,13,14,16);2-3H,1H3;5H,1-4H2;3H2,1-2H3;(H5,2,3,4);1H
• InChIKey: AMFJHHFQTLJTDC-UHFFFAOYSA-N
• XLogP: 11.22
• TPSA: 487.09 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1885.67
LogP ≤ 5	11.22
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-bromo-5-(dimethylamino)-3H-quinazolin-4-one;3-[[2-amino-7-bromo-5-(dimethylamino)quinazolin-4-yl]amino]propan-1-ol;3-[[2-amino-5-(dimethylamino)-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol;3-aminopropan-1-ol;guanidine;methyl 4-bromo-2,6-difluorobenzoate;methyl 4-bromo-2-(dimethylamino)-6-fluorobenzoate;propane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole;hydrochloride?

The IUPAC name of 2-amino-7-bromo-5-(dimethylamino)-3H-quinazolin-4-one;3-[[2-amino-7-bromo-5-(dimethylamino)quinazolin-4-yl]amino]propan-1-ol;3-[[2-amino-5-(dimethylamino)-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol;3-aminopropan-1-ol;guanidine;methyl 4-bromo-2,6-difluorobenzoate;methyl 4-bromo-2-(dimethylamino)-6-fluorobenzoate;propane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole;hydrochloride (CID 165106522) is 2-amino-7-bromo-5-(dimethylamino)-3H-quinazolin-4-one;3-[[2-amino-7-bromo-5-(dimethylamino)quinazolin-4-yl]amino]propan-1-ol;3-[[2-amino-5-(dimethylamino)-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol;3-aminopropan-1-ol;guanidine;methyl 4-bromo-2,6-difluorobenzoate;methyl 4-bromo-2-(dimethylamino)-6-fluorobenzoate;propane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole;hydrochloride.

What is the SMILES notation for 2-amino-7-bromo-5-(dimethylamino)-3H-quinazolin-4-one;3-[[2-amino-7-bromo-5-(dimethylamino)quinazolin-4-yl]amino]propan-1-ol;3-[[2-amino-5-(dimethylamino)-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol;3-aminopropan-1-ol;guanidine;methyl 4-bromo-2,6-difluorobenzoate;methyl 4-bromo-2-(dimethylamino)-6-fluorobenzoate;propane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole;hydrochloride?

The canonical SMILES for 2-amino-7-bromo-5-(dimethylamino)-3H-quinazolin-4-one;3-[[2-amino-7-bromo-5-(dimethylamino)quinazolin-4-yl]amino]propan-1-ol;3-[[2-amino-5-(dimethylamino)-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol;3-aminopropan-1-ol;guanidine;methyl 4-bromo-2,6-difluorobenzoate;methyl 4-bromo-2-(dimethylamino)-6-fluorobenzoate;propane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole;hydrochloride is CC1(C)OB(C2=CC=NC2)OC1(C)C.CCC.CN(C)c1cc(-c2ccn[nH]2)cc2nc(N)nc(NCCCO)c12.CN(C)c1cc(Br)cc2nc(N)[nH]c(=O)c12.CN(C)c1cc(Br)cc2nc(N)nc(NCCCO)c12.COC(=O)c1c(F)cc(Br)cc1F.COC(=O)c1c(F)cc(Br)cc1N(C)C.Cl.NCCCO.[H]N=C(N)N.

What is the InChIKey of 2-amino-7-bromo-5-(dimethylamino)-3H-quinazolin-4-one;3-[[2-amino-7-bromo-5-(dimethylamino)quinazolin-4-yl]amino]propan-1-ol;3-[[2-amino-5-(dimethylamino)-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol;3-aminopropan-1-ol;guanidine;methyl 4-bromo-2,6-difluorobenzoate;methyl 4-bromo-2-(dimethylamino)-6-fluorobenzoate;propane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole;hydrochloride?

The InChIKey is AMFJHHFQTLJTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O.C13H18BrN5O.C10H16BNO2.C10H11BrFNO2.C10H11BrN4O.C8H5BrF2O2.C3H9NO.C3H8.CH5N3.ClH/c1-23(2)13-9-10(11-4-6-19-22-11)8-12-14(13)15(18-5-3-7-24)21-16(17)20-12;1-19(2)10-7-8(14)6-9-11(10)12(16-4-3-5-20)18-13(15)17-9;1-9(2)10(3,4)14-11(13-9)8-5-6-12-7-8;1-13(2)8-5-6(11)4-7(12)9(8)10(14)15-3;1-15(2)7-4-5(11)3-6-8(7)9(16)14-10(12)13-6;1-13-8(12)7-5(10)2-4(9)3-6(7)11;4-2-1-3-5;1-3-2;2-1(3)4;/h4,6,8-9,24H,3,5,7H2,1-2H3,(H,19,22)(H3,17,18,20,21);6-7,20H,3-5H2,1-2H3,(H3,15,16,17,18);5-6H,7H2,1-4H3;4-5H,1-3H3;3-4H,1-2H3,(H3,12,13,14,16);2-3H,1H3;5H,1-4H2;3H2,1-2H3;(H5,2,3,4);1H.

What are the key properties of 2-amino-7-bromo-5-(dimethylamino)-3H-quinazolin-4-one;3-[[2-amino-7-bromo-5-(dimethylamino)quinazolin-4-yl]amino]propan-1-ol;3-[[2-amino-5-(dimethylamino)-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol;3-aminopropan-1-ol;guanidine;methyl 4-bromo-2,6-difluorobenzoate;methyl 4-bromo-2-(dimethylamino)-6-fluorobenzoate;propane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole;hydrochloride?

2-amino-7-bromo-5-(dimethylamino)-3H-quinazolin-4-one;3-[[2-amino-7-bromo-5-(dimethylamino)quinazolin-4-yl]amino]propan-1-ol;3-[[2-amino-5-(dimethylamino)-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol;3-aminopropan-1-ol;guanidine;methyl 4-bromo-2,6-difluorobenzoate;methyl 4-bromo-2-(dimethylamino)-6-fluorobenzoate;propane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole;hydrochloride has a molecular weight of 1885.67 g/mol, XLogP of 11.22, 18 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-7-bromo-5-(dimethylamino)-3H-quinazolin-4-one;3-[[2-amino-7-bromo-5-(dimethylamino)quinazolin-4-yl]amino]propan-1-ol;3-[[2-amino-5-(dimethylamino)-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol;3-aminopropan-1-ol;guanidine;methyl 4-bromo-2,6-difluorobenzoate;methyl 4-bromo-2-(dimethylamino)-6-fluorobenzoate;propane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole;hydrochloride is sourced from PubChem (CID 165106522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).