6-bromo-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;bis(6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-imidazo[1,2-c]pyrimidin-7-yloxy-3-methylphenyl)quinazolin-4-amine);6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-1-morpholin-4-ylethanone

C151H134BrN45O12 — CID 159345843

About 6-bromo-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;bis(6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-imidazo[1,2-c]pyrimidin-7-yloxy-3-methylphenyl)quinazolin-4-amine);6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-1-morpholin-4-ylethanone

6-bromo-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;bis(6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-imidazo[1,2-c]pyrimidin-7-yloxy-3-methylphenyl)quinazolin-4-amine);6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-1-morpholin-4-ylethanone (PubChem CID 159345843) has the molecular formula C151H134BrN45O12 and a molecular weight of 2850.94 g/mol. Its IUPAC name is 6-bromo-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;bis(6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-imidazo[1,2-c]pyrimidin-7-yloxy-3-methylphenyl)quinazolin-4-amine);6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-1-morpholin-4-ylethanone.

Molecular Properties

• Compound Name: 6-bromo-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;bis(6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-imidazo[1,2-c]pyrimidin-7-yloxy-3-methylphenyl)quinazolin-4-amine);6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-1-morpholin-4-ylethanone
• PubChem CID: 159345843
• Molecular Formula: C151H134BrN45O12
• Molecular Weight: 2850.94 g/mol
• Exact Mass: 2848.04
• IUPAC Name: 6-bromo-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;bis(6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-imidazo[1,2-c]pyrimidin-7-yloxy-3-methylphenyl)quinazolin-4-amine);6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-1-morpholin-4-ylethanone
• SMILES: Cc1cc(Nc2ncnc3ccc(Br)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=O)N4CCOCC4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC4=NC(C)(C)CO4)cc23)ccc1Oc1cc2nccn2cn1.Cc1cc(Nc2ncnc3ccc(CC4=NC(C)(C)CO4)cc23)ccc1Oc1cc2nccn2cn1.Cc1cc(Nc2ncnc3ccc(CC4=NC(C)(C)CO4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC4=N[C@H](C)CO4)cc23)ccc1Oc1cc2nncn2cn1
• InChI: InChI=1S/2C27H25N7O2.C26H24N8O3.C26H24N8O2.C25H22N8O2.C20H14BrN7O/c2*1-17-10-19(5-7-22(17)36-24-13-23-28-8-9-34(23)16-31-24)32-26-20-11-18(4-6-21(20)29-15-30-26)12-25-33-27(2,3)14-35-25;1-17-10-19(3-5-22(17)37-24-13-23-32-30-16-34(23)15-29-24)31-26-20-11-18(2-4-21(20)27-14-28-26)12-25(35)33-6-8-36-9-7-33;1-16-8-18(5-7-21(16)36-23-11-22-33-30-15-34(22)14-29-23)31-25-19-9-17(4-6-20(19)27-13-28-25)10-24-32-26(2,3)12-35-24;1-15-7-18(4-6-21(15)35-23-10-22-32-29-14-33(22)13-28-23)31-25-19-8-17(3-5-20(19)26-12-27-25)9-24-30-16(2)11-34-24;1-12-6-14(26-20-15-7-13(21)2-4-16(15)22-9-23-20)3-5-17(12)29-19-8-18-27-25-11-28(18)10-24-19/h2*4-11,13,15-16H,12,14H2,1-3H3,(H,29,30,32);2-5,10-11,13-16H,6-9,12H2,1H3,(H,27,28,31);4-9,11,13-15H,10,12H2,1-3H3,(H,27,28,31);3-8,10,12-14,16H,9,11H2,1-2H3,(H,26,27,31);2-11H,1H3,(H,22,23,26)/t;;;;16-;/m....1./s1
• InChIKey: LGSDBPQJJNXNDK-NSOQIOIVSA-N
• XLogP: 27.45
• TPSA: 630.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 56
• Rotatable Bonds: 34
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2850.94
LogP ≤ 5	27.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	56

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;bis(6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-imidazo[1,2-c]pyrimidin-7-yloxy-3-methylphenyl)quinazolin-4-amine);6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-1-morpholin-4-ylethanone?

The IUPAC name of 6-bromo-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;bis(6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-imidazo[1,2-c]pyrimidin-7-yloxy-3-methylphenyl)quinazolin-4-amine);6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-1-morpholin-4-ylethanone (CID 159345843) is 6-bromo-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;bis(6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-imidazo[1,2-c]pyrimidin-7-yloxy-3-methylphenyl)quinazolin-4-amine);6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-1-morpholin-4-ylethanone.

What is the SMILES notation for 6-bromo-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;bis(6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-imidazo[1,2-c]pyrimidin-7-yloxy-3-methylphenyl)quinazolin-4-amine);6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-1-morpholin-4-ylethanone?

The canonical SMILES for 6-bromo-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;bis(6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-imidazo[1,2-c]pyrimidin-7-yloxy-3-methylphenyl)quinazolin-4-amine);6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-1-morpholin-4-ylethanone is Cc1cc(Nc2ncnc3ccc(Br)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=O)N4CCOCC4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC4=NC(C)(C)CO4)cc23)ccc1Oc1cc2nccn2cn1.Cc1cc(Nc2ncnc3ccc(CC4=NC(C)(C)CO4)cc23)ccc1Oc1cc2nccn2cn1.Cc1cc(Nc2ncnc3ccc(CC4=NC(C)(C)CO4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC4=N[C@H](C)CO4)cc23)ccc1Oc1cc2nncn2cn1.

What is the InChIKey of 6-bromo-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;bis(6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-imidazo[1,2-c]pyrimidin-7-yloxy-3-methylphenyl)quinazolin-4-amine);6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-1-morpholin-4-ylethanone?

The InChIKey is LGSDBPQJJNXNDK-NSOQIOIVSA-N. The full InChI is InChI=1S/2C27H25N7O2.C26H24N8O3.C26H24N8O2.C25H22N8O2.C20H14BrN7O/c2*1-17-10-19(5-7-22(17)36-24-13-23-28-8-9-34(23)16-31-24)32-26-20-11-18(4-6-21(20)29-15-30-26)12-25-33-27(2,3)14-35-25;1-17-10-19(3-5-22(17)37-24-13-23-32-30-16-34(23)15-29-24)31-26-20-11-18(2-4-21(20)27-14-28-26)12-25(35)33-6-8-36-9-7-33;1-16-8-18(5-7-21(16)36-23-11-22-33-30-15-34(22)14-29-23)31-25-19-9-17(4-6-20(19)27-13-28-25)10-24-32-26(2,3)12-35-24;1-15-7-18(4-6-21(15)35-23-10-22-32-29-14-33(22)13-28-23)31-25-19-8-17(3-5-20(19)26-12-27-25)9-24-30-16(2)11-34-24;1-12-6-14(26-20-15-7-13(21)2-4-16(15)22-9-23-20)3-5-17(12)29-19-8-18-27-25-11-28(18)10-24-19/h2*4-11,13,15-16H,12,14H2,1-3H3,(H,29,30,32);2-5,10-11,13-16H,6-9,12H2,1H3,(H,27,28,31);4-9,11,13-15H,10,12H2,1-3H3,(H,27,28,31);3-8,10,12-14,16H,9,11H2,1-2H3,(H,26,27,31);2-11H,1H3,(H,22,23,26)/t;;;;16-;/m....1./s1.

What are the key properties of 6-bromo-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;bis(6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-imidazo[1,2-c]pyrimidin-7-yloxy-3-methylphenyl)quinazolin-4-amine);6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-1-morpholin-4-ylethanone?

6-bromo-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;bis(6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-imidazo[1,2-c]pyrimidin-7-yloxy-3-methylphenyl)quinazolin-4-amine);6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-1-morpholin-4-ylethanone has a molecular weight of 2850.94 g/mol, XLogP of 27.45, 34 rotatable bonds, 6 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;bis(6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-imidazo[1,2-c]pyrimidin-7-yloxy-3-methylphenyl)quinazolin-4-amine);6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 159345843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).