N-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methoxyphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylsulfonylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

C88H70ClFN20O5S6 — CID 158532866

About N-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methoxyphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylsulfonylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

N-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methoxyphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylsulfonylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 158532866) has the molecular formula C88H70ClFN20O5S6 and a molecular weight of 1734.52 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methoxyphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylsulfonylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methoxyphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylsulfonylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
• PubChem CID: 158532866
• Molecular Formula: C88H70ClFN20O5S6
• Molecular Weight: 1734.52 g/mol
• Exact Mass: 1732.38
• IUPAC Name: N-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methoxyphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylsulfonylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
• SMILES: CCOc1cccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c1.COc1ccccc1COc1cccc(Nc2nccc(-c3nccs3)n2)c1.CS(=O)(=O)c1ccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1.Clc1ccc(Nc2nccc(-c3nccs3)n2)cc1.Fc1ccc(Nc2nccc(-c3nccs3)n2)cc1
• InChI: InChI=1S/C21H18N4O2S.C21H18N4OS.C20H16N4O2S2.C13H9ClN4S.C13H9FN4S/c1-26-19-8-3-2-5-15(19)14-27-17-7-4-6-16(13-17)24-21-23-10-9-18(25-21)20-22-11-12-28-20;1-2-26-18-8-4-6-16(14-18)15-5-3-7-17(13-15)24-21-23-10-9-19(25-21)20-22-11-12-27-20;1-28(25,26)17-7-5-14(6-8-17)15-3-2-4-16(13-15)23-20-22-10-9-18(24-20)19-21-11-12-27-19;2*14-9-1-3-10(4-2-9)17-13-16-6-5-11(18-13)12-15-7-8-19-12/h2-13H,14H2,1H3,(H,23,24,25);3-14H,2H2,1H3,(H,23,24,25);2-13H,1H3,(H,22,23,24);2*1-8H,(H,16,17,18)
• InChIKey: HNOWTZDKRZDOII-UHFFFAOYSA-N
• XLogP: 22.23
• TPSA: 315.33 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1734.52
LogP ≤ 5	22.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methoxyphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylsulfonylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?

The IUPAC name of N-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methoxyphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylsulfonylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (CID 158532866) is N-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methoxyphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylsulfonylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.

What is the SMILES notation for N-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methoxyphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylsulfonylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?

The canonical SMILES for N-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methoxyphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylsulfonylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is CCOc1cccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c1.COc1ccccc1COc1cccc(Nc2nccc(-c3nccs3)n2)c1.CS(=O)(=O)c1ccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1.Clc1ccc(Nc2nccc(-c3nccs3)n2)cc1.Fc1ccc(Nc2nccc(-c3nccs3)n2)cc1.

What is the InChIKey of N-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methoxyphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylsulfonylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?

The InChIKey is HNOWTZDKRZDOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S.C21H18N4OS.C20H16N4O2S2.C13H9ClN4S.C13H9FN4S/c1-26-19-8-3-2-5-15(19)14-27-17-7-4-6-16(13-17)24-21-23-10-9-18(25-21)20-22-11-12-28-20;1-2-26-18-8-4-6-16(14-18)15-5-3-7-17(13-15)24-21-23-10-9-19(25-21)20-22-11-12-27-20;1-28(25,26)17-7-5-14(6-8-17)15-3-2-4-16(13-15)23-20-22-10-9-18(24-20)19-21-11-12-27-19;2*14-9-1-3-10(4-2-9)17-13-16-6-5-11(18-13)12-15-7-8-19-12/h2-13H,14H2,1H3,(H,23,24,25);3-14H,2H2,1H3,(H,23,24,25);2-13H,1H3,(H,22,23,24);2*1-8H,(H,16,17,18).

What are the key properties of N-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methoxyphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylsulfonylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?

N-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methoxyphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylsulfonylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 1734.52 g/mol, XLogP of 22.23, 24 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-ethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methoxyphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylsulfonylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 158532866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).