N-[3-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-fluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;N-(3-nitrophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;[4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol

C87H64F5N21O4S5 — CID 159431175

About N-[3-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-fluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;N-(3-nitrophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;[4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol

N-[3-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-fluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;N-(3-nitrophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;[4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol (PubChem CID 159431175) has the molecular formula C87H64F5N21O4S5 and a molecular weight of 1722.94 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-fluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;N-(3-nitrophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;[4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol.

Molecular Properties

• Compound Name: N-[3-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-fluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;N-(3-nitrophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;[4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol
• PubChem CID: 159431175
• Molecular Formula: C87H64F5N21O4S5
• Molecular Weight: 1722.94 g/mol
• Exact Mass: 1721.40
• IUPAC Name: N-[3-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-fluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;N-(3-nitrophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;[4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol
• SMILES: Cc1cnc(Nc2cccc(C(F)(F)F)c2)nc1-c1nccs1.Fc1cccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c1.Fc1ccccc1COc1cccc(Nc2nccc(-c3nccs3)n2)c1.O=[N+]([O-])c1cccc(Nc2nccc(-c3nccs3)n2)c1.OCc1ccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1
• InChI: InChI=1S/C20H15FN4OS.C20H16N4OS.C19H13FN4S.C15H11F3N4S.C13H9N5O2S/c21-17-7-2-1-4-14(17)13-26-16-6-3-5-15(12-16)24-20-23-9-8-18(25-20)19-22-10-11-27-19;25-13-14-4-6-15(7-5-14)16-2-1-3-17(12-16)23-20-22-9-8-18(24-20)19-21-10-11-26-19;20-15-5-1-3-13(11-15)14-4-2-6-16(12-14)23-19-22-8-7-17(24-19)18-21-9-10-25-18;1-9-8-20-14(22-12(9)13-19-5-6-23-13)21-11-4-2-3-10(7-11)15(16,17)18;19-18(20)10-3-1-2-9(8-10)16-13-15-5-4-11(17-13)12-14-6-7-21-12/h1-12H,13H2,(H,23,24,25);1-12,25H,13H2,(H,22,23,24);1-12H,(H,22,23,24);2-8H,1H3,(H,20,21,22);1-8H,(H,15,16,17)
• InChIKey: AAVHDFQMVLUBLK-UHFFFAOYSA-N
• XLogP: 22.64
• TPSA: 326.10 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 22
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1722.94
LogP ≤ 5	22.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

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-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-fluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;N-(3-nitrophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;[4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol?

The IUPAC name of N-[3-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-fluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;N-(3-nitrophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;[4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol (CID 159431175) is N-[3-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-fluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;N-(3-nitrophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;[4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol.

What is the SMILES notation for N-[3-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-fluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;N-(3-nitrophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;[4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol?

The canonical SMILES for N-[3-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-fluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;N-(3-nitrophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;[4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol is Cc1cnc(Nc2cccc(C(F)(F)F)c2)nc1-c1nccs1.Fc1cccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c1.Fc1ccccc1COc1cccc(Nc2nccc(-c3nccs3)n2)c1.O=[N+]([O-])c1cccc(Nc2nccc(-c3nccs3)n2)c1.OCc1ccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1.

What is the InChIKey of N-[3-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-fluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;N-(3-nitrophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;[4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol?

The InChIKey is AAVHDFQMVLUBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4OS.C20H16N4OS.C19H13FN4S.C15H11F3N4S.C13H9N5O2S/c21-17-7-2-1-4-14(17)13-26-16-6-3-5-15(12-16)24-20-23-9-8-18(25-20)19-22-10-11-27-19;25-13-14-4-6-15(7-5-14)16-2-1-3-17(12-16)23-20-22-9-8-18(24-20)19-21-10-11-26-19;20-15-5-1-3-13(11-15)14-4-2-6-16(12-14)23-19-22-8-7-17(24-19)18-21-9-10-25-18;1-9-8-20-14(22-12(9)13-19-5-6-23-13)21-11-4-2-3-10(7-11)15(16,17)18;19-18(20)10-3-1-2-9(8-10)16-13-15-5-4-11(17-13)12-14-6-7-21-12/h1-12H,13H2,(H,23,24,25);1-12,25H,13H2,(H,22,23,24);1-12H,(H,22,23,24);2-8H,1H3,(H,20,21,22);1-8H,(H,15,16,17).

What are the key properties of N-[3-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-fluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;N-(3-nitrophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;[4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol?

N-[3-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-fluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;N-(3-nitrophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;[4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol has a molecular weight of 1722.94 g/mol, XLogP of 22.64, 22 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-fluorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;N-(3-nitrophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;[4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol is sourced from PubChem (CID 159431175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).