6-bromo-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;(1R)-N-[2-(4-bromo-1H-pyrrol-2-yl)ethyl]-1-(3-chlorophenyl)propan-1-amine;2-[(1R)-1-(3-chlorophenyl)propyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one

C78H88BBr2Cl4N13O5 — CID 165026752

About 6-bromo-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;(1R)-N-[2-(4-bromo-1H-pyrrol-2-yl)ethyl]-1-(3-chlorophenyl)propan-1-amine;2-[(1R)-1-(3-chlorophenyl)propyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one

6-bromo-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;(1R)-N-[2-(4-bromo-1H-pyrrol-2-yl)ethyl]-1-(3-chlorophenyl)propan-1-amine;2-[(1R)-1-(3-chlorophenyl)propyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one (PubChem CID 165026752) has the molecular formula C78H88BBr2Cl4N13O5 and a molecular weight of 1600.08 g/mol. Its IUPAC name is 6-bromo-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;(1R)-N-[2-(4-bromo-1H-pyrrol-2-yl)ethyl]-1-(3-chlorophenyl)propan-1-amine;2-[(1R)-1-(3-chlorophenyl)propyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one.

Molecular Properties

• Compound Name: 6-bromo-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;(1R)-N-[2-(4-bromo-1H-pyrrol-2-yl)ethyl]-1-(3-chlorophenyl)propan-1-amine;2-[(1R)-1-(3-chlorophenyl)propyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one
• PubChem CID: 165026752
• Molecular Formula: C78H88BBr2Cl4N13O5
• Molecular Weight: 1600.08 g/mol
• Exact Mass: 1595.42
• IUPAC Name: 6-bromo-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;(1R)-N-[2-(4-bromo-1H-pyrrol-2-yl)ethyl]-1-(3-chlorophenyl)propan-1-amine;2-[(1R)-1-(3-chlorophenyl)propyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one
• SMILES: CC[C@@H](NCCc1cc(Br)c[nH]1)c1cccc(Cl)c1.CC[C@H](c1cccc(Cl)c1)N1CCc2cc(-c3nc(Nc4ccnn4C)ncc3C)cn2C1=O.CC[C@H](c1cccc(Cl)c1)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)cn2C1=O.CC[C@H](c1cccc(Cl)c1)N1CCc2cc(Br)cn2C1=O
• InChI: InChI=1S/C25H26ClN7O.C22H28BClN2O3.C16H16BrClN2O.C15H18BrClN2/c1-4-21(17-6-5-7-19(26)12-17)32-11-9-20-13-18(15-33(20)25(32)34)23-16(2)14-27-24(30-23)29-22-8-10-28-31(22)3;1-6-19(15-8-7-9-17(24)12-15)25-11-10-18-13-16(14-26(18)20(25)27)23-28-21(2,3)22(4,5)29-23;1-2-15(11-4-3-5-13(18)8-11)19-7-6-14-9-12(17)10-20(14)16(19)21;1-2-15(11-4-3-5-13(17)8-11)18-7-6-14-9-12(16)10-19-14/h5-8,10,12-15,21H,4,9,11H2,1-3H3,(H,27,29,30);7-9,12-14,19H,6,10-11H2,1-5H3;3-5,8-10,15H,2,6-7H2,1H3;3-5,8-10,15,18-19H,2,6-7H2,1H3/t21-;19-;2*15-/m1111/s1
• InChIKey: LZZSXHPOYQHIGR-DSYNKSCFSA-N
• XLogP: 19.38
• TPSA: 177.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1600.08
LogP ≤ 5	19.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;(1R)-N-[2-(4-bromo-1H-pyrrol-2-yl)ethyl]-1-(3-chlorophenyl)propan-1-amine;2-[(1R)-1-(3-chlorophenyl)propyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one?

The IUPAC name of 6-bromo-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;(1R)-N-[2-(4-bromo-1H-pyrrol-2-yl)ethyl]-1-(3-chlorophenyl)propan-1-amine;2-[(1R)-1-(3-chlorophenyl)propyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one (CID 165026752) is 6-bromo-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;(1R)-N-[2-(4-bromo-1H-pyrrol-2-yl)ethyl]-1-(3-chlorophenyl)propan-1-amine;2-[(1R)-1-(3-chlorophenyl)propyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one.

What is the SMILES notation for 6-bromo-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;(1R)-N-[2-(4-bromo-1H-pyrrol-2-yl)ethyl]-1-(3-chlorophenyl)propan-1-amine;2-[(1R)-1-(3-chlorophenyl)propyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one?

The canonical SMILES for 6-bromo-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;(1R)-N-[2-(4-bromo-1H-pyrrol-2-yl)ethyl]-1-(3-chlorophenyl)propan-1-amine;2-[(1R)-1-(3-chlorophenyl)propyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one is CC[C@@H](NCCc1cc(Br)c[nH]1)c1cccc(Cl)c1.CC[C@H](c1cccc(Cl)c1)N1CCc2cc(-c3nc(Nc4ccnn4C)ncc3C)cn2C1=O.CC[C@H](c1cccc(Cl)c1)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)cn2C1=O.CC[C@H](c1cccc(Cl)c1)N1CCc2cc(Br)cn2C1=O.

What is the InChIKey of 6-bromo-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;(1R)-N-[2-(4-bromo-1H-pyrrol-2-yl)ethyl]-1-(3-chlorophenyl)propan-1-amine;2-[(1R)-1-(3-chlorophenyl)propyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one?

The InChIKey is LZZSXHPOYQHIGR-DSYNKSCFSA-N. The full InChI is InChI=1S/C25H26ClN7O.C22H28BClN2O3.C16H16BrClN2O.C15H18BrClN2/c1-4-21(17-6-5-7-19(26)12-17)32-11-9-20-13-18(15-33(20)25(32)34)23-16(2)14-27-24(30-23)29-22-8-10-28-31(22)3;1-6-19(15-8-7-9-17(24)12-15)25-11-10-18-13-16(14-26(18)20(25)27)23-28-21(2,3)22(4,5)29-23;1-2-15(11-4-3-5-13(18)8-11)19-7-6-14-9-12(17)10-20(14)16(19)21;1-2-15(11-4-3-5-13(17)8-11)18-7-6-14-9-12(16)10-19-14/h5-8,10,12-15,21H,4,9,11H2,1-3H3,(H,27,29,30);7-9,12-14,19H,6,10-11H2,1-5H3;3-5,8-10,15H,2,6-7H2,1H3;3-5,8-10,15,18-19H,2,6-7H2,1H3/t21-;19-;2*15-/m1111/s1.

What are the key properties of 6-bromo-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;(1R)-N-[2-(4-bromo-1H-pyrrol-2-yl)ethyl]-1-(3-chlorophenyl)propan-1-amine;2-[(1R)-1-(3-chlorophenyl)propyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one?

6-bromo-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;(1R)-N-[2-(4-bromo-1H-pyrrol-2-yl)ethyl]-1-(3-chlorophenyl)propan-1-amine;2-[(1R)-1-(3-chlorophenyl)propyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one has a molecular weight of 1600.08 g/mol, XLogP of 19.38, 19 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-[(1R)-1-(3-chlorophenyl)propyl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;(1R)-N-[2-(4-bromo-1H-pyrrol-2-yl)ethyl]-1-(3-chlorophenyl)propan-1-amine;2-[(1R)-1-(3-chlorophenyl)propyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one;2-[(1R)-1-(3-chlorophenyl)propyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one is sourced from PubChem (CID 165026752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).