N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

C90H68Cl3N23O3S5 — CID 158769785

About N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 158769785) has the molecular formula C90H68Cl3N23O3S5 and a molecular weight of 1786.39 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
• PubChem CID: 158769785
• Molecular Formula: C90H68Cl3N23O3S5
• Molecular Weight: 1786.39 g/mol
• Exact Mass: 1783.35
• IUPAC Name: N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
• SMILES: COc1cccc(Nc2nccc(-c3nccs3)n2)c1.Clc1cccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c1Cl.Clc1cccc(Nc2nccc(-c3nccs3)n2)c1.c1cncc(COc2cccc(N(Cc3cccnc3)c3nccc(-c4nccs4)n3)c2)c1.c1cncc(COc2cccc(Nc3nccc(-c4nccs4)n3)c2)c1
• InChI: InChI=1S/C25H20N6OS.C19H12Cl2N4S.C19H15N5OS.C14H12N4OS.C13H9ClN4S/c1-6-21(14-22(7-1)32-18-20-5-3-10-27-16-20)31(17-19-4-2-9-26-15-19)25-29-11-8-23(30-25)24-28-12-13-33-24;20-15-6-2-5-14(17(15)21)12-3-1-4-13(11-12)24-19-23-8-7-16(25-19)18-22-9-10-26-18;1-4-15(11-16(5-1)25-13-14-3-2-7-20-12-14)23-19-22-8-6-17(24-19)18-21-9-10-26-18;1-19-11-4-2-3-10(9-11)17-14-16-6-5-12(18-14)13-15-7-8-20-13;14-9-2-1-3-10(8-9)17-13-16-5-4-11(18-13)12-15-6-7-19-12/h1-16H,17-18H2;1-11H,(H,23,24,25);1-12H,13H2,(H,22,23,24);2-9H,1H3,(H,16,17,18);1-8H,(H,16,17,18)
• InChIKey: IPSHZQCFVIFPCF-UHFFFAOYSA-N
• XLogP: 23.29
• TPSA: 311.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1786.39
LogP ≤ 5	23.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?

The IUPAC name of N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (CID 158769785) is N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.

What is the SMILES notation for N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?

The canonical SMILES for N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is COc1cccc(Nc2nccc(-c3nccs3)n2)c1.Clc1cccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c1Cl.Clc1cccc(Nc2nccc(-c3nccs3)n2)c1.c1cncc(COc2cccc(N(Cc3cccnc3)c3nccc(-c4nccs4)n3)c2)c1.c1cncc(COc2cccc(Nc3nccc(-c4nccs4)n3)c2)c1.

What is the InChIKey of N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?

The InChIKey is IPSHZQCFVIFPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6OS.C19H12Cl2N4S.C19H15N5OS.C14H12N4OS.C13H9ClN4S/c1-6-21(14-22(7-1)32-18-20-5-3-10-27-16-20)31(17-19-4-2-9-26-15-19)25-29-11-8-23(30-25)24-28-12-13-33-24;20-15-6-2-5-14(17(15)21)12-3-1-4-13(11-12)24-19-23-8-7-16(25-19)18-22-9-10-26-18;1-4-15(11-16(5-1)25-13-14-3-2-7-20-12-14)23-19-22-8-6-17(24-19)18-21-9-10-26-18;1-19-11-4-2-3-10(9-11)17-14-16-6-5-12(18-14)13-15-7-8-20-13;14-9-2-1-3-10(8-9)17-13-16-5-4-11(18-13)12-15-6-7-19-12/h1-16H,17-18H2;1-11H,(H,23,24,25);1-12H,13H2,(H,22,23,24);2-9H,1H3,(H,16,17,18);1-8H,(H,16,17,18).

What are the key properties of N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?

N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 1786.39 g/mol, XLogP of 23.29, 25 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(pyridin-3-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 158769785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).