N-(3-bromophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-nitrophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine

C89H69BrF3N21O5S5 — CID 162102814

About N-(3-bromophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-nitrophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine

N-(3-bromophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-nitrophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 162102814) has the molecular formula C89H69BrF3N21O5S5 and a molecular weight of 1809.91 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-nitrophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-(3-bromophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-nitrophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
• PubChem CID: 162102814
• Molecular Formula: C89H69BrF3N21O5S5
• Molecular Weight: 1809.91 g/mol
• Exact Mass: 1807.35
• IUPAC Name: N-(3-bromophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-nitrophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
• SMILES: Brc1cccc(Nc2nccc(-c3nccs3)n2)c1.CCOc1ccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1.CCOc1ccccc1-c1cccc(Nc2nccc(-c3nccs3)n2)c1.FC(F)(F)c1cccc(Nc2nccc(-c3nccs3)n2)c1.O=[N+]([O-])c1ccccc1COc1cccc(Nc2nccc(-c3nccs3)n2)c1
• InChI: InChI=1S/2C21H18N4OS.C20H15N5O3S.C14H9F3N4S.C13H9BrN4S/c1-2-26-19-9-4-3-8-17(19)15-6-5-7-16(14-15)24-21-23-11-10-18(25-21)20-22-12-13-27-20;1-2-26-18-8-6-15(7-9-18)16-4-3-5-17(14-16)24-21-23-11-10-19(25-21)20-22-12-13-27-20;26-25(27)18-7-2-1-4-14(18)13-28-16-6-3-5-15(12-16)23-20-22-9-8-17(24-20)19-21-10-11-29-19;15-14(16,17)9-2-1-3-10(8-9)20-13-19-5-4-11(21-13)12-18-6-7-22-12;14-9-2-1-3-10(8-9)17-13-16-5-4-11(18-13)12-15-6-7-19-12/h2*3-14H,2H2,1H3,(H,23,24,25);1-12H,13H2,(H,22,23,24);1-8H,(H,19,20,21);1-8H,(H,16,17,18)
• InChIKey: NYXIHCLLVWHVHF-UHFFFAOYSA-N
• XLogP: 24.12
• TPSA: 324.33 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1809.91
LogP ≤ 5	24.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-nitrophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?

The IUPAC name of N-(3-bromophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-nitrophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 162102814) is N-(3-bromophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-nitrophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine.

What is the SMILES notation for N-(3-bromophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-nitrophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?

The canonical SMILES for N-(3-bromophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-nitrophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine is Brc1cccc(Nc2nccc(-c3nccs3)n2)c1.CCOc1ccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1.CCOc1ccccc1-c1cccc(Nc2nccc(-c3nccs3)n2)c1.FC(F)(F)c1cccc(Nc2nccc(-c3nccs3)n2)c1.O=[N+]([O-])c1ccccc1COc1cccc(Nc2nccc(-c3nccs3)n2)c1.

What is the InChIKey of N-(3-bromophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-nitrophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?

The InChIKey is NYXIHCLLVWHVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H18N4OS.C20H15N5O3S.C14H9F3N4S.C13H9BrN4S/c1-2-26-19-9-4-3-8-17(19)15-6-5-7-16(14-15)24-21-23-11-10-18(25-21)20-22-12-13-27-20;1-2-26-18-8-6-15(7-9-18)16-4-3-5-17(14-16)24-21-23-11-10-19(25-21)20-22-12-13-27-20;26-25(27)18-7-2-1-4-14(18)13-28-16-6-3-5-15(12-16)23-20-22-9-8-17(24-20)19-21-10-11-29-19;15-14(16,17)9-2-1-3-10(8-9)20-13-19-5-4-11(21-13)12-18-6-7-22-12;14-9-2-1-3-10(8-9)17-13-16-5-4-11(18-13)12-15-6-7-19-12/h2*3-14H,2H2,1H3,(H,23,24,25);1-12H,13H2,(H,22,23,24);1-8H,(H,19,20,21);1-8H,(H,16,17,18).

What are the key properties of N-(3-bromophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-nitrophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?

N-(3-bromophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-nitrophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 1809.91 g/mol, XLogP of 24.12, 25 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-bromophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-nitrophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 162102814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).