6-bromo-2-chloro-4-methylquinazoline;6-bromo-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-(1H-pyrazol-4-yl)-N-pyridin-3-ylquinazolin-2-amine;pyridin-3-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole

C55H53BBr2ClN15O2 — CID 159291031

About 6-bromo-2-chloro-4-methylquinazoline;6-bromo-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-(1H-pyrazol-4-yl)-N-pyridin-3-ylquinazolin-2-amine;pyridin-3-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole

6-bromo-2-chloro-4-methylquinazoline;6-bromo-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-(1H-pyrazol-4-yl)-N-pyridin-3-ylquinazolin-2-amine;pyridin-3-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole (PubChem CID 159291031) has the molecular formula C55H53BBr2ClN15O2 and a molecular weight of 1162.20 g/mol. Its IUPAC name is 6-bromo-2-chloro-4-methylquinazoline;6-bromo-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-(1H-pyrazol-4-yl)-N-pyridin-3-ylquinazolin-2-amine;pyridin-3-amine;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-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-(1H-pyrazol-4-yl)-N-pyridin-3-ylquinazolin-2-amine;pyridin-3-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole
• PubChem CID: 159291031
• Molecular Formula: C55H53BBr2ClN15O2
• Molecular Weight: 1162.20 g/mol
• Exact Mass: 1159.27
• IUPAC Name: 6-bromo-2-chloro-4-methylquinazoline;6-bromo-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-(1H-pyrazol-4-yl)-N-pyridin-3-ylquinazolin-2-amine;pyridin-3-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole
• SMILES: CC1(C)OB(C2=CCN=C2)OC1(C)C.Cc1nc(Cl)nc2ccc(Br)cc12.Cc1nc(Nc2cccnc2)nc2ccc(-c3cn[nH]c3)cc12.Cc1nc(Nc2cccnc2)nc2ccc(Br)cc12.Nc1cccnc1
• InChI: InChI=1S/C17H14N6.C14H11BrN4.C10H16BNO2.C9H6BrClN2.C5H6N2/c1-11-15-7-12(13-8-19-20-9-13)4-5-16(15)23-17(21-11)22-14-3-2-6-18-10-14;1-9-12-7-10(15)4-5-13(12)19-14(17-9)18-11-3-2-6-16-8-11;1-9(2)10(3,4)14-11(13-9)8-5-6-12-7-8;1-5-7-4-6(10)2-3-8(7)13-9(11)12-5;6-5-2-1-3-7-4-5/h2-10H,1H3,(H,19,20)(H,21,22,23);2-8H,1H3,(H,17,18,19);5,7H,6H2,1-4H3;2-4H,1H3;1-4H,6H2
• InChIKey: LACVFABHBVVSCO-UHFFFAOYSA-N
• XLogP: 12.95
• TPSA: 225.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1162.20
LogP ≤ 5	12.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

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-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-(1H-pyrazol-4-yl)-N-pyridin-3-ylquinazolin-2-amine;pyridin-3-amine;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-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-(1H-pyrazol-4-yl)-N-pyridin-3-ylquinazolin-2-amine;pyridin-3-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole (CID 159291031) is 6-bromo-2-chloro-4-methylquinazoline;6-bromo-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-(1H-pyrazol-4-yl)-N-pyridin-3-ylquinazolin-2-amine;pyridin-3-amine;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-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-(1H-pyrazol-4-yl)-N-pyridin-3-ylquinazolin-2-amine;pyridin-3-amine;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-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-(1H-pyrazol-4-yl)-N-pyridin-3-ylquinazolin-2-amine;pyridin-3-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole is CC1(C)OB(C2=CCN=C2)OC1(C)C.Cc1nc(Cl)nc2ccc(Br)cc12.Cc1nc(Nc2cccnc2)nc2ccc(-c3cn[nH]c3)cc12.Cc1nc(Nc2cccnc2)nc2ccc(Br)cc12.Nc1cccnc1.

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

The InChIKey is LACVFABHBVVSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6.C14H11BrN4.C10H16BNO2.C9H6BrClN2.C5H6N2/c1-11-15-7-12(13-8-19-20-9-13)4-5-16(15)23-17(21-11)22-14-3-2-6-18-10-14;1-9-12-7-10(15)4-5-13(12)19-14(17-9)18-11-3-2-6-16-8-11;1-9(2)10(3,4)14-11(13-9)8-5-6-12-7-8;1-5-7-4-6(10)2-3-8(7)13-9(11)12-5;6-5-2-1-3-7-4-5/h2-10H,1H3,(H,19,20)(H,21,22,23);2-8H,1H3,(H,17,18,19);5,7H,6H2,1-4H3;2-4H,1H3;1-4H,6H2.

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

6-bromo-2-chloro-4-methylquinazoline;6-bromo-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-(1H-pyrazol-4-yl)-N-pyridin-3-ylquinazolin-2-amine;pyridin-3-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole has a molecular weight of 1162.20 g/mol, XLogP of 12.95, 6 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-chloro-4-methylquinazoline;6-bromo-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-(1H-pyrazol-4-yl)-N-pyridin-3-ylquinazolin-2-amine;pyridin-3-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole is sourced from PubChem (CID 159291031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).