2-amino-N,N-dimethyl-5-[4-(1-phenylethylamino)quinazolin-6-yl]pyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;6-bromo-N-(1-phenylethyl)quinazolin-4-amine;methane

C55H64BBrN12O4 — CID 165102793

About 2-amino-N,N-dimethyl-5-[4-(1-phenylethylamino)quinazolin-6-yl]pyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;6-bromo-N-(1-phenylethyl)quinazolin-4-amine;methane

2-amino-N,N-dimethyl-5-[4-(1-phenylethylamino)quinazolin-6-yl]pyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;6-bromo-N-(1-phenylethyl)quinazolin-4-amine;methane (PubChem CID 165102793) has the molecular formula C55H64BBrN12O4 and a molecular weight of 1047.91 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-5-[4-(1-phenylethylamino)quinazolin-6-yl]pyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;6-bromo-N-(1-phenylethyl)quinazolin-4-amine;methane.

Molecular Properties

• Compound Name: 2-amino-N,N-dimethyl-5-[4-(1-phenylethylamino)quinazolin-6-yl]pyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;6-bromo-N-(1-phenylethyl)quinazolin-4-amine;methane
• PubChem CID: 165102793
• Molecular Formula: C55H64BBrN12O4
• Molecular Weight: 1047.91 g/mol
• Exact Mass: 1046.44
• IUPAC Name: 2-amino-N,N-dimethyl-5-[4-(1-phenylethylamino)quinazolin-6-yl]pyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;6-bromo-N-(1-phenylethyl)quinazolin-4-amine;methane
• SMILES: C.CC(Nc1ncnc2ccc(-c3cnc(N)c(C(=O)N(C)C)c3)cc12)c1ccccc1.CC(Nc1ncnc2ccc(Br)cc12)c1ccccc1.CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1N
• InChI: InChI=1S/C24H24N6O.C16H14BrN3.C14H22BN3O3.CH4/c1-15(16-7-5-4-6-8-16)29-23-19-11-17(9-10-21(19)27-14-28-23)18-12-20(22(25)26-13-18)24(31)30(2)3;1-11(12-5-3-2-4-6-12)20-16-14-9-13(17)7-8-15(14)18-10-19-16;1-13(2)14(3,4)21-15(20-13)9-7-10(11(16)17-8-9)12(19)18(5)6;/h4-15H,1-3H3,(H2,25,26)(H,27,28,29);2-11H,1H3,(H,18,19,20);7-8H,1-6H3,(H2,16,17);1H4
• InChIKey: YPTHBOPVNOLTEE-UHFFFAOYSA-N
• XLogP: 10.02
• TPSA: 212.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1047.91
LogP ≤ 5	10.02
H-Bond Donors ≤ 5	4
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 2-amino-N,N-dimethyl-5-[4-(1-phenylethylamino)quinazolin-6-yl]pyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;6-bromo-N-(1-phenylethyl)quinazolin-4-amine;methane?

The IUPAC name of 2-amino-N,N-dimethyl-5-[4-(1-phenylethylamino)quinazolin-6-yl]pyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;6-bromo-N-(1-phenylethyl)quinazolin-4-amine;methane (CID 165102793) is 2-amino-N,N-dimethyl-5-[4-(1-phenylethylamino)quinazolin-6-yl]pyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;6-bromo-N-(1-phenylethyl)quinazolin-4-amine;methane.

What is the SMILES notation for 2-amino-N,N-dimethyl-5-[4-(1-phenylethylamino)quinazolin-6-yl]pyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;6-bromo-N-(1-phenylethyl)quinazolin-4-amine;methane?

The canonical SMILES for 2-amino-N,N-dimethyl-5-[4-(1-phenylethylamino)quinazolin-6-yl]pyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;6-bromo-N-(1-phenylethyl)quinazolin-4-amine;methane is C.CC(Nc1ncnc2ccc(-c3cnc(N)c(C(=O)N(C)C)c3)cc12)c1ccccc1.CC(Nc1ncnc2ccc(Br)cc12)c1ccccc1.CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1N.

What is the InChIKey of 2-amino-N,N-dimethyl-5-[4-(1-phenylethylamino)quinazolin-6-yl]pyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;6-bromo-N-(1-phenylethyl)quinazolin-4-amine;methane?

The InChIKey is YPTHBOPVNOLTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O.C16H14BrN3.C14H22BN3O3.CH4/c1-15(16-7-5-4-6-8-16)29-23-19-11-17(9-10-21(19)27-14-28-23)18-12-20(22(25)26-13-18)24(31)30(2)3;1-11(12-5-3-2-4-6-12)20-16-14-9-13(17)7-8-15(14)18-10-19-16;1-13(2)14(3,4)21-15(20-13)9-7-10(11(16)17-8-9)12(19)18(5)6;/h4-15H,1-3H3,(H2,25,26)(H,27,28,29);2-11H,1H3,(H,18,19,20);7-8H,1-6H3,(H2,16,17);1H4.

What are the key properties of 2-amino-N,N-dimethyl-5-[4-(1-phenylethylamino)quinazolin-6-yl]pyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;6-bromo-N-(1-phenylethyl)quinazolin-4-amine;methane?

2-amino-N,N-dimethyl-5-[4-(1-phenylethylamino)quinazolin-6-yl]pyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;6-bromo-N-(1-phenylethyl)quinazolin-4-amine;methane has a molecular weight of 1047.91 g/mol, XLogP of 10.02, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N,N-dimethyl-5-[4-(1-phenylethylamino)quinazolin-6-yl]pyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;6-bromo-N-(1-phenylethyl)quinazolin-4-amine;methane is sourced from PubChem (CID 165102793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).