N-(4-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-N-phenyl-6-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyridine-2,6-diamine;2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol

C85H68N22O3S5 — CID 158213626

About N-(4-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-N-phenyl-6-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyridine-2,6-diamine;2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol

N-(4-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-N-phenyl-6-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyridine-2,6-diamine;2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol (PubChem CID 158213626) has the molecular formula C85H68N22O3S5 and a molecular weight of 1605.96 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-N-phenyl-6-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyridine-2,6-diamine;2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol.

Molecular Properties

• Compound Name: N-(4-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-N-phenyl-6-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyridine-2,6-diamine;2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol
• PubChem CID: 158213626
• Molecular Formula: C85H68N22O3S5
• Molecular Weight: 1605.96 g/mol
• Exact Mass: 1604.44
• IUPAC Name: N-(4-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-N-phenyl-6-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyridine-2,6-diamine;2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol
• SMILES: COc1ccc(Nc2nccc(-c3nccs3)n2)cc1.Cc1ccc(Nc2nccc(-c3nccs3)n2)cc1.Cc1cnc(Nc2cccc(Oc3ccccc3)c2)nc1-c1nccs1.Oc1ccccc1-c1cccc(Nc2nccc(-c3nccs3)n2)c1.c1ccc(Nc2cccc(Nc3nccc(-c4nccs4)n3)n2)cc1
• InChI: InChI=1S/C20H16N4OS.C19H14N4OS.C18H14N6S.C14H12N4OS.C14H12N4S/c1-14-13-22-20(24-18(14)19-21-10-11-26-19)23-15-6-5-9-17(12-15)25-16-7-3-2-4-8-16;24-17-7-2-1-6-15(17)13-4-3-5-14(12-13)22-19-21-9-8-16(23-19)18-20-10-11-25-18;1-2-5-13(6-3-1)21-15-7-4-8-16(23-15)24-18-20-10-9-14(22-18)17-19-11-12-25-17;1-19-11-4-2-10(3-5-11)17-14-16-7-6-12(18-14)13-15-8-9-20-13;1-10-2-4-11(5-3-10)17-14-16-7-6-12(18-14)13-15-8-9-19-13/h2-13H,1H3,(H,22,23,24);1-12,24H,(H,21,22,23);1-12H,(H2,20,21,22,23,24);2-9H,1H3,(H,16,17,18);2-9H,1H3,(H,16,17,18)
• InChIKey: GCJKMAZHIUXVBV-UHFFFAOYSA-N
• XLogP: 21.65
• TPSA: 317.11 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1605.96
LogP ≤ 5	21.65
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-N-phenyl-6-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyridine-2,6-diamine;2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol?

The IUPAC name of N-(4-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-N-phenyl-6-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyridine-2,6-diamine;2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol (CID 158213626) is N-(4-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-N-phenyl-6-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyridine-2,6-diamine;2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol.

What is the SMILES notation for N-(4-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-N-phenyl-6-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyridine-2,6-diamine;2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol?

The canonical SMILES for N-(4-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-N-phenyl-6-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyridine-2,6-diamine;2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol is COc1ccc(Nc2nccc(-c3nccs3)n2)cc1.Cc1ccc(Nc2nccc(-c3nccs3)n2)cc1.Cc1cnc(Nc2cccc(Oc3ccccc3)c2)nc1-c1nccs1.Oc1ccccc1-c1cccc(Nc2nccc(-c3nccs3)n2)c1.c1ccc(Nc2cccc(Nc3nccc(-c4nccs4)n3)n2)cc1.

What is the InChIKey of N-(4-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-N-phenyl-6-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyridine-2,6-diamine;2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol?

The InChIKey is GCJKMAZHIUXVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS.C19H14N4OS.C18H14N6S.C14H12N4OS.C14H12N4S/c1-14-13-22-20(24-18(14)19-21-10-11-26-19)23-15-6-5-9-17(12-15)25-16-7-3-2-4-8-16;24-17-7-2-1-6-15(17)13-4-3-5-14(12-13)22-19-21-9-8-16(23-19)18-20-10-11-25-18;1-2-5-13(6-3-1)21-15-7-4-8-16(23-15)24-18-20-10-9-14(22-18)17-19-11-12-25-17;1-19-11-4-2-10(3-5-11)17-14-16-7-6-12(18-14)13-15-8-9-20-13;1-10-2-4-11(5-3-10)17-14-16-7-6-12(18-14)13-15-8-9-19-13/h2-13H,1H3,(H,22,23,24);1-12,24H,(H,21,22,23);1-12H,(H2,20,21,22,23,24);2-9H,1H3,(H,16,17,18);2-9H,1H3,(H,16,17,18).

What are the key properties of N-(4-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-N-phenyl-6-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyridine-2,6-diamine;2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol?

N-(4-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-N-phenyl-6-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyridine-2,6-diamine;2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol has a molecular weight of 1605.96 g/mol, XLogP of 21.65, 21 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;5-methyl-N-(3-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(4-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;2-N-phenyl-6-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyridine-2,6-diamine;2-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol is sourced from PubChem (CID 158213626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).