N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(3-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)oxy]phenyl]quinazolin-4-amine;7-[4-[[6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-yl]amino]-2-methylphenoxy]-[1,2,4]triazolo[4,3-c]pyrimidin-8-ol;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine

C186H179F2N57O15S2 — CID 158762268

About N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(3-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)oxy]phenyl]quinazolin-4-amine;7-[4-[[6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-yl]amino]-2-methylphenoxy]-[1,2,4]triazolo[4,3-c]pyrimidin-8-ol;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine

N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(3-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)oxy]phenyl]quinazolin-4-amine;7-[4-[[6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-yl]amino]-2-methylphenoxy]-[1,2,4]triazolo[4,3-c]pyrimidin-8-ol;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine (PubChem CID 158762268) has the molecular formula C186H179F2N57O15S2 and a molecular weight of 3554.99 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(3-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)oxy]phenyl]quinazolin-4-amine;7-[4-[[6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-yl]amino]-2-methylphenoxy]-[1,2,4]triazolo[4,3-c]pyrimidin-8-ol;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine.

Molecular Properties

• Compound Name: N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(3-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)oxy]phenyl]quinazolin-4-amine;7-[4-[[6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-yl]amino]-2-methylphenoxy]-[1,2,4]triazolo[4,3-c]pyrimidin-8-ol;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine
• PubChem CID: 158762268
• Molecular Formula: C186H179F2N57O15S2
• Molecular Weight: 3554.99 g/mol
• Exact Mass: 3552.44
• IUPAC Name: N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(3-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)oxy]phenyl]quinazolin-4-amine;7-[4-[[6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-yl]amino]-2-methylphenoxy]-[1,2,4]triazolo[4,3-c]pyrimidin-8-ol;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine
• SMILES: Cc1cc(Nc2ncnc3ccc(-c4ccc(CN(C)CCS(C)(=O)=O)o4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(/C=C/CN(C)C)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=O)N(C)CC(C)(C)N)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=S)CC(C)(C)CO)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC4=NC(C)(C)CO4)cc23)ccc1Oc1cc2nnc(C)n2cn1.Cc1cc(Nc2ncnc3ccc(CC4=NC(C)(C)CO4)cc23)ccc1Oc1ncn2cnnc2c1O.Cc1cc(Nc2ncnc3ccc(CC4=NCC(F)(F)CN4)cc23)ccc1Oc1cc2nncn2cn1
• InChI: InChI=1S/C29H28N8O4S.C27H29N9O2.C27H26N8O2.C27H27N7O2S.C26H24N8O3.C25H21F2N9O.C25H24N8O/c1-19-12-21(5-8-25(19)41-28-14-27-35-33-18-37(27)17-32-28)34-29-23-13-20(4-7-24(23)30-16-31-29)26-9-6-22(40-26)15-36(2)10-11-42(3,38)39;1-17-9-19(6-8-22(17)38-24-12-23-34-32-16-36(23)15-31-24)33-26-20-10-18(5-7-21(20)29-14-30-26)11-25(37)35(4)13-27(2,3)28;1-16-9-19(6-8-22(16)37-24-12-23-34-33-17(2)35(23)15-30-24)31-26-20-10-18(5-7-21(20)28-14-29-26)11-25-32-27(3,4)13-36-25;1-17-8-19(5-7-23(17)36-25-11-24-33-31-16-34(24)15-30-25)32-26-21-10-18(4-6-22(21)28-14-29-26)9-20(37)12-27(2,3)13-35;1-15-8-17(5-7-20(15)37-25-22(35)24-33-30-14-34(24)13-29-25)31-23-18-9-16(4-6-19(18)27-12-28-23)10-21-32-26(2,3)11-36-21;1-15-6-17(3-5-20(15)37-23-9-22-35-33-14-36(22)13-32-23)34-24-18-7-16(2-4-19(18)30-12-31-24)8-21-28-10-25(26,27)11-29-21;1-17-11-19(7-9-22(17)34-24-13-23-31-29-16-33(23)15-28-24)30-25-20-12-18(5-4-10-32(2)3)6-8-21(20)26-14-27-25/h4-9,12-14,16-18H,10-11,15H2,1-3H3,(H,30,31,34);5-10,12,14-16H,11,13,28H2,1-4H3,(H,29,30,33);5-10,12,14-15H,11,13H2,1-4H3,(H,28,29,31);4-8,10-11,14-16,35H,9,12-13H2,1-3H3,(H,28,29,32);4-9,12-14,35H,10-11H2,1-3H3,(H,27,28,31);2-7,9,12-14H,8,10-11H2,1H3,(H,28,29)(H,30,31,34);4-9,11-16H,10H2,1-3H3,(H,26,27,30)/b;;;;;;5-4+
• InChIKey: IOVBCXHDCNKFOK-VXFYIOOSSA-N
• XLogP: 31.45
• TPSA: 838.96 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 72
• Rotatable Bonds: 52
• Heavy Atoms: 262
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3554.99
LogP ≤ 5	31.45
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	72

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(3-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)oxy]phenyl]quinazolin-4-amine;7-[4-[[6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-yl]amino]-2-methylphenoxy]-[1,2,4]triazolo[4,3-c]pyrimidin-8-ol;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine?

The IUPAC name of N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(3-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)oxy]phenyl]quinazolin-4-amine;7-[4-[[6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-yl]amino]-2-methylphenoxy]-[1,2,4]triazolo[4,3-c]pyrimidin-8-ol;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine (CID 158762268) is N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(3-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)oxy]phenyl]quinazolin-4-amine;7-[4-[[6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-yl]amino]-2-methylphenoxy]-[1,2,4]triazolo[4,3-c]pyrimidin-8-ol;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine.

What is the SMILES notation for N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(3-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)oxy]phenyl]quinazolin-4-amine;7-[4-[[6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-yl]amino]-2-methylphenoxy]-[1,2,4]triazolo[4,3-c]pyrimidin-8-ol;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine?

The canonical SMILES for N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(3-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)oxy]phenyl]quinazolin-4-amine;7-[4-[[6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-yl]amino]-2-methylphenoxy]-[1,2,4]triazolo[4,3-c]pyrimidin-8-ol;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine is Cc1cc(Nc2ncnc3ccc(-c4ccc(CN(C)CCS(C)(=O)=O)o4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(/C=C/CN(C)C)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=O)N(C)CC(C)(C)N)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=S)CC(C)(C)CO)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC4=NC(C)(C)CO4)cc23)ccc1Oc1cc2nnc(C)n2cn1.Cc1cc(Nc2ncnc3ccc(CC4=NC(C)(C)CO4)cc23)ccc1Oc1ncn2cnnc2c1O.Cc1cc(Nc2ncnc3ccc(CC4=NCC(F)(F)CN4)cc23)ccc1Oc1cc2nncn2cn1.

What is the InChIKey of N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(3-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)oxy]phenyl]quinazolin-4-amine;7-[4-[[6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-yl]amino]-2-methylphenoxy]-[1,2,4]triazolo[4,3-c]pyrimidin-8-ol;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine?

The InChIKey is IOVBCXHDCNKFOK-VXFYIOOSSA-N. The full InChI is InChI=1S/C29H28N8O4S.C27H29N9O2.C27H26N8O2.C27H27N7O2S.C26H24N8O3.C25H21F2N9O.C25H24N8O/c1-19-12-21(5-8-25(19)41-28-14-27-35-33-18-37(27)17-32-28)34-29-23-13-20(4-7-24(23)30-16-31-29)26-9-6-22(40-26)15-36(2)10-11-42(3,38)39;1-17-9-19(6-8-22(17)38-24-12-23-34-32-16-36(23)15-31-24)33-26-20-10-18(5-7-21(20)29-14-30-26)11-25(37)35(4)13-27(2,3)28;1-16-9-19(6-8-22(16)37-24-12-23-34-33-17(2)35(23)15-30-24)31-26-20-10-18(5-7-21(20)28-14-29-26)11-25-32-27(3,4)13-36-25;1-17-8-19(5-7-23(17)36-25-11-24-33-31-16-34(24)15-30-25)32-26-21-10-18(4-6-22(21)28-14-29-26)9-20(37)12-27(2,3)13-35;1-15-8-17(5-7-20(15)37-25-22(35)24-33-30-14-34(24)13-29-25)31-23-18-9-16(4-6-19(18)27-12-28-23)10-21-32-26(2,3)11-36-21;1-15-6-17(3-5-20(15)37-23-9-22-35-33-14-36(22)13-32-23)34-24-18-7-16(2-4-19(18)30-12-31-24)8-21-28-10-25(26,27)11-29-21;1-17-11-19(7-9-22(17)34-24-13-23-31-29-16-33(23)15-28-24)30-25-20-12-18(5-4-10-32(2)3)6-8-21(20)26-14-27-25/h4-9,12-14,16-18H,10-11,15H2,1-3H3,(H,30,31,34);5-10,12,14-16H,11,13,28H2,1-4H3,(H,29,30,33);5-10,12,14-15H,11,13H2,1-4H3,(H,28,29,31);4-8,10-11,14-16,35H,9,12-13H2,1-3H3,(H,28,29,32);4-9,12-14,35H,10-11H2,1-3H3,(H,27,28,31);2-7,9,12-14H,8,10-11H2,1H3,(H,28,29)(H,30,31,34);4-9,11-16H,10H2,1-3H3,(H,26,27,30)/b;;;;;;5-4+.

What are the key properties of N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(3-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)oxy]phenyl]quinazolin-4-amine;7-[4-[[6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-yl]amino]-2-methylphenoxy]-[1,2,4]triazolo[4,3-c]pyrimidin-8-ol;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine?

N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(3-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)oxy]phenyl]quinazolin-4-amine;7-[4-[[6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-yl]amino]-2-methylphenoxy]-[1,2,4]triazolo[4,3-c]pyrimidin-8-ol;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine has a molecular weight of 3554.99 g/mol, XLogP of 31.45, 52 rotatable bonds, 11 hydrogen bond donors, and 72 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(3-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)oxy]phenyl]quinazolin-4-amine;7-[4-[[6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-yl]amino]-2-methylphenoxy]-[1,2,4]triazolo[4,3-c]pyrimidin-8-ol;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine is sourced from PubChem (CID 158762268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).