N-[3-(3-aminophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-dichlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-nitrophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)pyrimidin-2-amine

C84H59Cl2F3N22O4S5 — CID 159738753

About N-[3-(3-aminophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-dichlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-nitrophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)pyrimidin-2-amine

N-[3-(3-aminophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-dichlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-nitrophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)pyrimidin-2-amine (PubChem CID 159738753) has the molecular formula C84H59Cl2F3N22O4S5 and a molecular weight of 1728.78 g/mol. Its IUPAC name is N-[3-(3-aminophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-dichlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-nitrophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[3-(3-aminophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-dichlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-nitrophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)pyrimidin-2-amine
• PubChem CID: 159738753
• Molecular Formula: C84H59Cl2F3N22O4S5
• Molecular Weight: 1728.78 g/mol
• Exact Mass: 1726.30
• IUPAC Name: N-[3-(3-aminophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-dichlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-nitrophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)pyrimidin-2-amine
• SMILES: COc1ccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1.Clc1cccc(Cl)c1Nc1nccc(-c2nccs2)n1.Fc1cc(Nc2nccc(-c3nccs3)n2)cc(F)c1F.Nc1cccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c1.O=[N+]([O-])c1cccc(Oc2cccc(Nc3nccc(-c4nccs4)n3)c2)c1
• InChI: InChI=1S/C20H16N4OS.C19H13N5O3S.C19H15N5S.C13H8Cl2N4S.C13H7F3N4S/c1-25-17-7-5-14(6-8-17)15-3-2-4-16(13-15)23-20-22-10-9-18(24-20)19-21-11-12-26-19;25-24(26)14-4-2-6-16(12-14)27-15-5-1-3-13(11-15)22-19-21-8-7-17(23-19)18-20-9-10-28-18;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;14-8-2-1-3-9(15)11(8)19-13-17-5-4-10(18-13)12-16-6-7-20-12;14-8-5-7(6-9(15)11(8)16)19-13-18-2-1-10(20-13)12-17-3-4-21-12/h2-13H,1H3,(H,22,23,24);1-12H,(H,21,22,23);1-12H,20H2,(H,22,23,24);1-7H,(H,17,18,19);1-6H,(H,18,19,20)
• InChIKey: DAPICWMATJYSIH-UHFFFAOYSA-N
• XLogP: 23.07
• TPSA: 341.12 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1728.78
LogP ≤ 5	23.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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-(3-aminophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-dichlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-nitrophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)pyrimidin-2-amine?

The IUPAC name of N-[3-(3-aminophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-dichlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-nitrophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)pyrimidin-2-amine (CID 159738753) is N-[3-(3-aminophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-dichlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-nitrophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)pyrimidin-2-amine.

What is the SMILES notation for N-[3-(3-aminophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-dichlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-nitrophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)pyrimidin-2-amine?

The canonical SMILES for N-[3-(3-aminophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-dichlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-nitrophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)pyrimidin-2-amine is COc1ccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1.Clc1cccc(Cl)c1Nc1nccc(-c2nccs2)n1.Fc1cc(Nc2nccc(-c3nccs3)n2)cc(F)c1F.Nc1cccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c1.O=[N+]([O-])c1cccc(Oc2cccc(Nc3nccc(-c4nccs4)n3)c2)c1.

What is the InChIKey of N-[3-(3-aminophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-dichlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-nitrophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)pyrimidin-2-amine?

The InChIKey is DAPICWMATJYSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS.C19H13N5O3S.C19H15N5S.C13H8Cl2N4S.C13H7F3N4S/c1-25-17-7-5-14(6-8-17)15-3-2-4-16(13-15)23-20-22-10-9-18(24-20)19-21-11-12-26-19;25-24(26)14-4-2-6-16(12-14)27-15-5-1-3-13(11-15)22-19-21-8-7-17(23-19)18-20-9-10-28-18;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;14-8-2-1-3-9(15)11(8)19-13-17-5-4-10(18-13)12-16-6-7-20-12;14-8-5-7(6-9(15)11(8)16)19-13-18-2-1-10(20-13)12-17-3-4-21-12/h2-13H,1H3,(H,22,23,24);1-12H,(H,21,22,23);1-12H,20H2,(H,22,23,24);1-7H,(H,17,18,19);1-6H,(H,18,19,20).

What are the key properties of N-[3-(3-aminophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-dichlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-nitrophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)pyrimidin-2-amine?

N-[3-(3-aminophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-dichlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-nitrophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)pyrimidin-2-amine has a molecular weight of 1728.78 g/mol, XLogP of 23.07, 21 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-aminophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2,6-dichlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-nitrophenoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 159738753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).