2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-7-fluoro-N-[2-fluoro-3-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;4,4,4-trifluoro-3,3-dimethylbut-1-yne

C95H65Br4Cl3F26N20 — CID 167702171

About 2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-7-fluoro-N-[2-fluoro-3-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;4,4,4-trifluoro-3,3-dimethylbut-1-yne

2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-7-fluoro-N-[2-fluoro-3-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;4,4,4-trifluoro-3,3-dimethylbut-1-yne (PubChem CID 167702171) has the molecular formula C95H65Br4Cl3F26N20 and a molecular weight of 2406.63 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-7-fluoro-N-[2-fluoro-3-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;4,4,4-trifluoro-3,3-dimethylbut-1-yne.

Molecular Properties

• Compound Name: 2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-7-fluoro-N-[2-fluoro-3-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;4,4,4-trifluoro-3,3-dimethylbut-1-yne
• PubChem CID: 167702171
• Molecular Formula: C95H65Br4Cl3F26N20
• Molecular Weight: 2406.63 g/mol
• Exact Mass: 2400.11
• IUPAC Name: 2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-7-fluoro-N-[2-fluoro-3-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;4,4,4-trifluoro-3,3-dimethylbut-1-yne
• SMILES: C#CC(C)(C)C(F)(F)F.CC(C)(C#Cc1cccc(N(CC(F)F)c2nc3nncn3c3ccc(F)cc23)c1F)C(F)(F)F.Fc1c(Br)cccc1NCC(F)F.Fc1ccc2c(c1)c(N(CC(F)F)c1cccc(Br)c1F)nc1nncn12.Fc1ccc2nc(Cl)nc(Cl)c2c1.Fc1ccc2nc(Cl)nc(N(CC(F)F)c3cccc(Br)c3F)c2c1.NCc1nc(N(CC(F)F)c2cccc(Br)c2F)c2cc(F)ccc2n1
• InChI: InChI=1S/C23H16F7N5.C17H10BrF4N5.C17H13BrF4N4.C16H9BrClF4N3.C8H7BrF3N.C8H3Cl2FN2.C6H7F3/c1-22(2,23(28,29)30)9-8-13-4-3-5-17(19(13)27)34(11-18(25)26)20-15-10-14(24)6-7-16(15)35-12-31-33-21(35)32-20;18-11-2-1-3-13(15(11)22)26(7-14(20)21)16-10-6-9(19)4-5-12(10)27-8-23-25-17(27)24-16;18-11-2-1-3-13(16(11)22)26(8-14(20)21)17-10-6-9(19)4-5-12(10)24-15(7-23)25-17;17-10-2-1-3-12(14(10)22)25(7-13(20)21)15-9-6-8(19)4-5-11(9)23-16(18)24-15;9-5-2-1-3-6(8(5)12)13-4-7(10)11;9-7-5-3-4(11)1-2-6(5)12-8(10)13-7;1-4-5(2,3)6(7,8)9/h3-7,10,12,18H,11H2,1-2H3;1-6,8,14H,7H2;1-6,14H,7-8,23H2;1-6,13H,7H2;1-3,7,13H,4H2;1-3H;1H,2-3H3
• InChIKey: YOBPFFRMYHYBCI-UHFFFAOYSA-N
• XLogP: 29.43
• TPSA: 214.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2406.63
LogP ≤ 5	29.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-7-fluoro-N-[2-fluoro-3-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;4,4,4-trifluoro-3,3-dimethylbut-1-yne?

The IUPAC name of 2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-7-fluoro-N-[2-fluoro-3-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;4,4,4-trifluoro-3,3-dimethylbut-1-yne (CID 167702171) is 2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-7-fluoro-N-[2-fluoro-3-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;4,4,4-trifluoro-3,3-dimethylbut-1-yne.

What is the SMILES notation for 2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-7-fluoro-N-[2-fluoro-3-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;4,4,4-trifluoro-3,3-dimethylbut-1-yne?

The canonical SMILES for 2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-7-fluoro-N-[2-fluoro-3-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;4,4,4-trifluoro-3,3-dimethylbut-1-yne is C#CC(C)(C)C(F)(F)F.CC(C)(C#Cc1cccc(N(CC(F)F)c2nc3nncn3c3ccc(F)cc23)c1F)C(F)(F)F.Fc1c(Br)cccc1NCC(F)F.Fc1ccc2c(c1)c(N(CC(F)F)c1cccc(Br)c1F)nc1nncn12.Fc1ccc2nc(Cl)nc(Cl)c2c1.Fc1ccc2nc(Cl)nc(N(CC(F)F)c3cccc(Br)c3F)c2c1.NCc1nc(N(CC(F)F)c2cccc(Br)c2F)c2cc(F)ccc2n1.

What is the InChIKey of 2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-7-fluoro-N-[2-fluoro-3-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;4,4,4-trifluoro-3,3-dimethylbut-1-yne?

The InChIKey is YOBPFFRMYHYBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F7N5.C17H10BrF4N5.C17H13BrF4N4.C16H9BrClF4N3.C8H7BrF3N.C8H3Cl2FN2.C6H7F3/c1-22(2,23(28,29)30)9-8-13-4-3-5-17(19(13)27)34(11-18(25)26)20-15-10-14(24)6-7-16(15)35-12-31-33-21(35)32-20;18-11-2-1-3-13(15(11)22)26(7-14(20)21)16-10-6-9(19)4-5-12(10)27-8-23-25-17(27)24-16;18-11-2-1-3-13(16(11)22)26(8-14(20)21)17-10-6-9(19)4-5-12(10)24-15(7-23)25-17;17-10-2-1-3-12(14(10)22)25(7-13(20)21)15-9-6-8(19)4-5-11(9)23-16(18)24-15;9-5-2-1-3-6(8(5)12)13-4-7(10)11;9-7-5-3-4(11)1-2-6(5)12-8(10)13-7;1-4-5(2,3)6(7,8)9/h3-7,10,12,18H,11H2,1-2H3;1-6,8,14H,7H2;1-6,14H,7-8,23H2;1-6,13H,7H2;1-3,7,13H,4H2;1-3H;1H,2-3H3.

What are the key properties of 2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-7-fluoro-N-[2-fluoro-3-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;4,4,4-trifluoro-3,3-dimethylbut-1-yne?

2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-7-fluoro-N-[2-fluoro-3-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;4,4,4-trifluoro-3,3-dimethylbut-1-yne has a molecular weight of 2406.63 g/mol, XLogP of 29.43, 20 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-7-fluoro-N-[2-fluoro-3-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;4,4,4-trifluoro-3,3-dimethylbut-1-yne is sourced from PubChem (CID 167702171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).