5-bromo-2-fluoropyrimidine;5-bromo-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine;(3R)-3-fluoro-1-methylpyrrolidine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride

C43H67B3Br2ClF4N9O6 — CID 162032073

About 5-bromo-2-fluoropyrimidine;5-bromo-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine;(3R)-3-fluoro-1-methylpyrrolidine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride

5-bromo-2-fluoropyrimidine;5-bromo-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine;(3R)-3-fluoro-1-methylpyrrolidine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride (PubChem CID 162032073) has the molecular formula C43H67B3Br2ClF4N9O6 and a molecular weight of 1109.75 g/mol. Its IUPAC name is 5-bromo-2-fluoropyrimidine;5-bromo-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine;(3R)-3-fluoro-1-methylpyrrolidine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride.

Molecular Properties

• Compound Name: 5-bromo-2-fluoropyrimidine;5-bromo-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine;(3R)-3-fluoro-1-methylpyrrolidine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride
• PubChem CID: 162032073
• Molecular Formula: C43H67B3Br2ClF4N9O6
• Molecular Weight: 1109.75 g/mol
• Exact Mass: 1107.35
• IUPAC Name: 5-bromo-2-fluoropyrimidine;5-bromo-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine;(3R)-3-fluoro-1-methylpyrrolidine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cnc(N3CC[C@@H](F)C3)nc2)OC1(C)C.CN1CC[C@@H](F)C1.Cl.F[C@@H]1CCN(c2ncc(Br)cn2)C1.Fc1ncc(Br)cn1
• InChI: InChI=1S/C14H21BFN3O2.C12H24B2O4.C8H9BrFN3.C5H10FN.C4H2BrFN2.ClH/c1-13(2)14(3,4)21-15(20-13)10-7-17-12(18-8-10)19-6-5-11(16)9-19;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-6-3-11-8(12-4-6)13-2-1-7(10)5-13;1-7-3-2-5(6)4-7;5-3-1-7-4(6)8-2-3;/h7-8,11H,5-6,9H2,1-4H3;1-8H3;3-4,7H,1-2,5H2;5H,2-4H2,1H3;1-2H;1H/t11-;;7-;5-;;/m1.11../s1
• InChIKey: KYHVEWZXFQTQLR-CMIGCQDXSA-N
• XLogP: 7.82
• TPSA: 142.44 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 4
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1109.75
LogP ≤ 5	7.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoropyrimidine;5-bromo-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine;(3R)-3-fluoro-1-methylpyrrolidine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?

The IUPAC name of 5-bromo-2-fluoropyrimidine;5-bromo-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine;(3R)-3-fluoro-1-methylpyrrolidine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride (CID 162032073) is 5-bromo-2-fluoropyrimidine;5-bromo-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine;(3R)-3-fluoro-1-methylpyrrolidine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride.

What is the SMILES notation for 5-bromo-2-fluoropyrimidine;5-bromo-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine;(3R)-3-fluoro-1-methylpyrrolidine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?

The canonical SMILES for 5-bromo-2-fluoropyrimidine;5-bromo-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine;(3R)-3-fluoro-1-methylpyrrolidine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cnc(N3CC[C@@H](F)C3)nc2)OC1(C)C.CN1CC[C@@H](F)C1.Cl.F[C@@H]1CCN(c2ncc(Br)cn2)C1.Fc1ncc(Br)cn1.

What is the InChIKey of 5-bromo-2-fluoropyrimidine;5-bromo-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine;(3R)-3-fluoro-1-methylpyrrolidine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?

The InChIKey is KYHVEWZXFQTQLR-CMIGCQDXSA-N. The full InChI is InChI=1S/C14H21BFN3O2.C12H24B2O4.C8H9BrFN3.C5H10FN.C4H2BrFN2.ClH/c1-13(2)14(3,4)21-15(20-13)10-7-17-12(18-8-10)19-6-5-11(16)9-19;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-6-3-11-8(12-4-6)13-2-1-7(10)5-13;1-7-3-2-5(6)4-7;5-3-1-7-4(6)8-2-3;/h7-8,11H,5-6,9H2,1-4H3;1-8H3;3-4,7H,1-2,5H2;5H,2-4H2,1H3;1-2H;1H/t11-;;7-;5-;;/m1.11../s1.

What are the key properties of 5-bromo-2-fluoropyrimidine;5-bromo-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine;(3R)-3-fluoro-1-methylpyrrolidine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?

5-bromo-2-fluoropyrimidine;5-bromo-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine;(3R)-3-fluoro-1-methylpyrrolidine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride has a molecular weight of 1109.75 g/mol, XLogP of 7.82, 4 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-fluoropyrimidine;5-bromo-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine;(3R)-3-fluoro-1-methylpyrrolidine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride is sourced from PubChem (CID 162032073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).