N-(3,4-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,6-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]benzonitrile;4-(1,3-thiazol-2-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine

C93H67F5N22O4S5 — CID 161488314

About N-(3,4-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,6-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]benzonitrile;4-(1,3-thiazol-2-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine

N-(3,4-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,6-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]benzonitrile;4-(1,3-thiazol-2-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine (PubChem CID 161488314) has the molecular formula C93H67F5N22O4S5 and a molecular weight of 1812.03 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,6-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]benzonitrile;4-(1,3-thiazol-2-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-(3,4-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,6-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]benzonitrile;4-(1,3-thiazol-2-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine
• PubChem CID: 161488314
• Molecular Formula: C93H67F5N22O4S5
• Molecular Weight: 1812.03 g/mol
• Exact Mass: 1810.42
• IUPAC Name: N-(3,4-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,6-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]benzonitrile;4-(1,3-thiazol-2-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine
• SMILES: COc1cccc(OC)c1-c1cccc(Nc2nccc(-c3nccs3)n2)c1.FC(F)(F)c1ccccc1COc1cccc(Nc2nccc(-c3nccs3)n2)c1.Fc1ccc(Nc2nccc(-c3nccs3)n2)cc1F.N#Cc1ccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1.c1cncc(Oc2cccc(Nc3nccc(-c4nccs4)n3)c2)c1
• InChI: InChI=1S/C21H15F3N4OS.C21H18N4O2S.C20H13N5S.C18H13N5OS.C13H8F2N4S/c22-21(23,24)17-7-2-1-4-14(17)13-29-16-6-3-5-15(12-16)27-20-26-9-8-18(28-20)19-25-10-11-30-19;1-26-17-7-4-8-18(27-2)19(17)14-5-3-6-15(13-14)24-21-23-10-9-16(25-21)20-22-11-12-28-20;21-13-14-4-6-15(7-5-14)16-2-1-3-17(12-16)24-20-23-9-8-18(25-20)19-22-10-11-26-19;1-3-13(11-14(4-1)24-15-5-2-7-19-12-15)22-18-21-8-6-16(23-18)17-20-9-10-25-17;14-9-2-1-8(7-10(9)15)18-13-17-4-3-11(19-13)12-16-5-6-20-12/h1-12H,13H2,(H,26,27,28);3-13H,1-2H3,(H,23,24,25);1-12H,(H,23,24,25);1-12H,(H,21,22,23);1-7H,(H,17,18,19)
• InChIKey: WFGPKGWGINJBAY-UHFFFAOYSA-N
• XLogP: 24.00
• TPSA: 327.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1812.03
LogP ≤ 5	24.00
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,6-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]benzonitrile;4-(1,3-thiazol-2-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine?

The IUPAC name of N-(3,4-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,6-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]benzonitrile;4-(1,3-thiazol-2-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine (CID 161488314) is N-(3,4-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,6-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]benzonitrile;4-(1,3-thiazol-2-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine.

What is the SMILES notation for N-(3,4-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,6-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]benzonitrile;4-(1,3-thiazol-2-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine?

The canonical SMILES for N-(3,4-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,6-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]benzonitrile;4-(1,3-thiazol-2-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine is COc1cccc(OC)c1-c1cccc(Nc2nccc(-c3nccs3)n2)c1.FC(F)(F)c1ccccc1COc1cccc(Nc2nccc(-c3nccs3)n2)c1.Fc1ccc(Nc2nccc(-c3nccs3)n2)cc1F.N#Cc1ccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1.c1cncc(Oc2cccc(Nc3nccc(-c4nccs4)n3)c2)c1.

What is the InChIKey of N-(3,4-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,6-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]benzonitrile;4-(1,3-thiazol-2-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine?

The InChIKey is WFGPKGWGINJBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4OS.C21H18N4O2S.C20H13N5S.C18H13N5OS.C13H8F2N4S/c22-21(23,24)17-7-2-1-4-14(17)13-29-16-6-3-5-15(12-16)27-20-26-9-8-18(28-20)19-25-10-11-30-19;1-26-17-7-4-8-18(27-2)19(17)14-5-3-6-15(13-14)24-21-23-10-9-16(25-21)20-22-11-12-28-20;21-13-14-4-6-15(7-5-14)16-2-1-3-17(12-16)24-20-23-9-8-18(25-20)19-22-10-11-26-19;1-3-13(11-14(4-1)24-15-5-2-7-19-12-15)22-18-21-8-6-16(23-18)17-20-9-10-25-17;14-9-2-1-8(7-10(9)15)18-13-17-4-3-11(19-13)12-16-5-6-20-12/h1-12H,13H2,(H,26,27,28);3-13H,1-2H3,(H,23,24,25);1-12H,(H,23,24,25);1-12H,(H,21,22,23);1-7H,(H,17,18,19).

What are the key properties of N-(3,4-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,6-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]benzonitrile;4-(1,3-thiazol-2-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine?

N-(3,4-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,6-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]benzonitrile;4-(1,3-thiazol-2-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine has a molecular weight of 1812.03 g/mol, XLogP of 24.00, 24 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-difluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,6-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-3-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]benzonitrile;4-(1,3-thiazol-2-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 161488314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).