N-[3-[(3,4-difluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenylmethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;methyl 4-[[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]methyl]benzoate;4-[3-[[5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;[3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol

C103H82F2N20O7S5 — CID 162224538

About N-[3-[(3,4-difluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenylmethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;methyl 4-[[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]methyl]benzoate;4-[3-[[5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;[3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol

N-[3-[(3,4-difluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenylmethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;methyl 4-[[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]methyl]benzoate;4-[3-[[5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;[3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol (PubChem CID 162224538) has the molecular formula C103H82F2N20O7S5 and a molecular weight of 1910.25 g/mol. Its IUPAC name is N-[3-[(3,4-difluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenylmethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;methyl 4-[[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]methyl]benzoate;4-[3-[[5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;[3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol.

Molecular Properties

• Compound Name: N-[3-[(3,4-difluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenylmethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;methyl 4-[[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]methyl]benzoate;4-[3-[[5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;[3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol
• PubChem CID: 162224538
• Molecular Formula: C103H82F2N20O7S5
• Molecular Weight: 1910.25 g/mol
• Exact Mass: 1908.52
• IUPAC Name: N-[3-[(3,4-difluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenylmethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;methyl 4-[[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]methyl]benzoate;4-[3-[[5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;[3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol
• SMILES: COC(=O)c1ccc(COc2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1.Cc1cnc(Nc2cccc(-c3ccc(O)cc3)c2)nc1-c1nccs1.Cc1cnc(Nc2cccc(OCc3ccccc3)c2)nc1-c1nccs1.Fc1ccc(COc2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1F.OCc1cccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c1
• InChI: InChI=1S/C22H18N4O3S.C21H18N4OS.C20H14F2N4OS.2C20H16N4OS/c1-28-21(27)16-7-5-15(6-8-16)14-29-18-4-2-3-17(13-18)25-22-24-10-9-19(26-22)20-23-11-12-30-20;1-15-13-23-21(25-19(15)20-22-10-11-27-20)24-17-8-5-9-18(12-17)26-14-16-6-3-2-4-7-16;21-16-5-4-13(10-17(16)22)12-27-15-3-1-2-14(11-15)25-20-24-7-6-18(26-20)19-23-8-9-28-19;1-13-12-22-20(24-18(13)19-21-9-10-26-19)23-16-4-2-3-15(11-16)14-5-7-17(25)8-6-14;25-13-14-3-1-4-15(11-14)16-5-2-6-17(12-16)23-20-22-8-7-18(24-20)19-21-9-10-26-19/h2-13H,14H2,1H3,(H,24,25,26);2-13H,14H2,1H3,(H,23,24,25);1-11H,12H2,(H,24,25,26);2-12,25H,1H3,(H,22,23,24);1-12,25H,13H2,(H,22,23,24)
• InChIKey: ZUOPREAIEJEHNA-UHFFFAOYSA-N
• XLogP: 24.67
• TPSA: 347.95 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 28
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1910.25
LogP ≤ 5	24.67
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,4-difluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenylmethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;methyl 4-[[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]methyl]benzoate;4-[3-[[5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;[3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol?

The IUPAC name of N-[3-[(3,4-difluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenylmethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;methyl 4-[[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]methyl]benzoate;4-[3-[[5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;[3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol (CID 162224538) is N-[3-[(3,4-difluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenylmethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;methyl 4-[[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]methyl]benzoate;4-[3-[[5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;[3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol.

What is the SMILES notation for N-[3-[(3,4-difluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenylmethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;methyl 4-[[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]methyl]benzoate;4-[3-[[5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;[3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol?

The canonical SMILES for N-[3-[(3,4-difluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenylmethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;methyl 4-[[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]methyl]benzoate;4-[3-[[5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;[3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol is COC(=O)c1ccc(COc2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1.Cc1cnc(Nc2cccc(-c3ccc(O)cc3)c2)nc1-c1nccs1.Cc1cnc(Nc2cccc(OCc3ccccc3)c2)nc1-c1nccs1.Fc1ccc(COc2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1F.OCc1cccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c1.

What is the InChIKey of N-[3-[(3,4-difluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenylmethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;methyl 4-[[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]methyl]benzoate;4-[3-[[5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;[3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol?

The InChIKey is ZUOPREAIEJEHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S.C21H18N4OS.C20H14F2N4OS.2C20H16N4OS/c1-28-21(27)16-7-5-15(6-8-16)14-29-18-4-2-3-17(13-18)25-22-24-10-9-19(26-22)20-23-11-12-30-20;1-15-13-23-21(25-19(15)20-22-10-11-27-20)24-17-8-5-9-18(12-17)26-14-16-6-3-2-4-7-16;21-16-5-4-13(10-17(16)22)12-27-15-3-1-2-14(11-15)25-20-24-7-6-18(26-20)19-23-8-9-28-19;1-13-12-22-20(24-18(13)19-21-9-10-26-19)23-16-4-2-3-15(11-16)14-5-7-17(25)8-6-14;25-13-14-3-1-4-15(11-14)16-5-2-6-17(12-16)23-20-22-8-7-18(24-20)19-21-9-10-26-19/h2-13H,14H2,1H3,(H,24,25,26);2-13H,14H2,1H3,(H,23,24,25);1-11H,12H2,(H,24,25,26);2-12,25H,1H3,(H,22,23,24);1-12,25H,13H2,(H,22,23,24).

What are the key properties of N-[3-[(3,4-difluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenylmethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;methyl 4-[[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]methyl]benzoate;4-[3-[[5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;[3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol?

N-[3-[(3,4-difluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenylmethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;methyl 4-[[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]methyl]benzoate;4-[3-[[5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;[3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol has a molecular weight of 1910.25 g/mol, XLogP of 24.67, 28 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(3,4-difluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenylmethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;methyl 4-[[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]methyl]benzoate;4-[3-[[5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;[3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenyl]methanol is sourced from PubChem (CID 162224538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).