6-bromo-2-chloro-4-methylquinazoline;6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine;methanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole

C43H50BBr2ClN12O2 — CID 162136450

About 6-bromo-2-chloro-4-methylquinazoline;6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine;methanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole

6-bromo-2-chloro-4-methylquinazoline;6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine;methanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole (PubChem CID 162136450) has the molecular formula C43H50BBr2ClN12O2 and a molecular weight of 973.03 g/mol. Its IUPAC name is 6-bromo-2-chloro-4-methylquinazoline;6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine;methanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole.

Molecular Properties

• Compound Name: 6-bromo-2-chloro-4-methylquinazoline;6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine;methanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole
• PubChem CID: 162136450
• Molecular Formula: C43H50BBr2ClN12O2
• Molecular Weight: 973.03 g/mol
• Exact Mass: 970.23
• IUPAC Name: 6-bromo-2-chloro-4-methylquinazoline;6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine;methanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole
• SMILES: CC1(C)OB(C2=CCN=C2)OC1(C)C.CN.CNc1nc(C)c2cc(-c3cn[nH]c3)ccc2n1.CNc1nc(C)c2cc(Br)ccc2n1.Cc1nc(Cl)nc2ccc(Br)cc12
• InChI: InChI=1S/C13H13N5.C10H16BNO2.C10H10BrN3.C9H6BrClN2.CH5N/c1-8-11-5-9(10-6-15-16-7-10)3-4-12(11)18-13(14-2)17-8;1-9(2)10(3,4)14-11(13-9)8-5-6-12-7-8;1-6-8-5-7(11)3-4-9(8)14-10(12-2)13-6;1-5-7-4-6(10)2-3-8(7)13-9(11)12-5;1-2/h3-7H,1-2H3,(H,15,16)(H,14,17,18);5,7H,6H2,1-4H3;3-5H,1-2H3,(H,12,13,14);2-4H,1H3;2H2,1H3
• InChIKey: ZJIUXEJQBCXSCG-UHFFFAOYSA-N
• XLogP: 9.67
• TPSA: 186.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 4
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	973.03
LogP ≤ 5	9.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-4-methylquinazoline;6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine;methanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole?

The IUPAC name of 6-bromo-2-chloro-4-methylquinazoline;6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine;methanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole (CID 162136450) is 6-bromo-2-chloro-4-methylquinazoline;6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine;methanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole.

What is the SMILES notation for 6-bromo-2-chloro-4-methylquinazoline;6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine;methanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole?

The canonical SMILES for 6-bromo-2-chloro-4-methylquinazoline;6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine;methanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole is CC1(C)OB(C2=CCN=C2)OC1(C)C.CN.CNc1nc(C)c2cc(-c3cn[nH]c3)ccc2n1.CNc1nc(C)c2cc(Br)ccc2n1.Cc1nc(Cl)nc2ccc(Br)cc12.

What is the InChIKey of 6-bromo-2-chloro-4-methylquinazoline;6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine;methanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole?

The InChIKey is ZJIUXEJQBCXSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5.C10H16BNO2.C10H10BrN3.C9H6BrClN2.CH5N/c1-8-11-5-9(10-6-15-16-7-10)3-4-12(11)18-13(14-2)17-8;1-9(2)10(3,4)14-11(13-9)8-5-6-12-7-8;1-6-8-5-7(11)3-4-9(8)14-10(12-2)13-6;1-5-7-4-6(10)2-3-8(7)13-9(11)12-5;1-2/h3-7H,1-2H3,(H,15,16)(H,14,17,18);5,7H,6H2,1-4H3;3-5H,1-2H3,(H,12,13,14);2-4H,1H3;2H2,1H3.

What are the key properties of 6-bromo-2-chloro-4-methylquinazoline;6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine;methanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole?

6-bromo-2-chloro-4-methylquinazoline;6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine;methanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole has a molecular weight of 973.03 g/mol, XLogP of 9.67, 4 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-chloro-4-methylquinazoline;6-bromo-N,4-dimethylquinazolin-2-amine;N,4-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-2-amine;methanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole is sourced from PubChem (CID 162136450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).