N-[3-(cyclohexylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-methoxy-4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;N-(3-phenylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol

C93H80N20O4S5 — CID 161328154

About N-[3-(cyclohexylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-methoxy-4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;N-(3-phenylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol

N-[3-(cyclohexylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-methoxy-4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;N-(3-phenylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol (PubChem CID 161328154) has the molecular formula C93H80N20O4S5 and a molecular weight of 1702.13 g/mol. Its IUPAC name is N-[3-(cyclohexylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-methoxy-4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;N-(3-phenylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol.

Molecular Properties

• Compound Name: N-[3-(cyclohexylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-methoxy-4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;N-(3-phenylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol
• PubChem CID: 161328154
• Molecular Formula: C93H80N20O4S5
• Molecular Weight: 1702.13 g/mol
• Exact Mass: 1700.53
• IUPAC Name: N-[3-(cyclohexylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-methoxy-4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;N-(3-phenylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol
• SMILES: COc1cc(O)ccc1-c1cccc(Nc2nccc(-c3nccs3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3nccs3)n2)c1.Oc1cccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c1.c1cc(Nc2nccc(-c3nccs3)n2)cc(OCC2CCCCC2)c1.c1ccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1
• InChI: InChI=1S/C20H16N4O2S.C20H22N4OS.C19H14N4OS.C19H14N4S.C15H14N4S/c1-26-18-12-15(25)5-6-16(18)13-3-2-4-14(11-13)23-20-22-8-7-17(24-20)19-21-9-10-27-19;1-2-5-15(6-3-1)14-25-17-8-4-7-16(13-17)23-20-22-10-9-18(24-20)19-21-11-12-26-19;24-16-6-2-4-14(12-16)13-3-1-5-15(11-13)22-19-21-8-7-17(23-19)18-20-9-10-25-18;1-2-5-14(6-3-1)15-7-4-8-16(13-15)22-19-21-10-9-17(23-19)18-20-11-12-24-18;1-10-7-11(2)9-12(8-10)18-15-17-4-3-13(19-15)14-16-5-6-20-14/h2-12,25H,1H3,(H,22,23,24);4,7-13,15H,1-3,5-6,14H2,(H,22,23,24);1-12,24H,(H,21,22,23);1-13H,(H,21,22,23);3-9H,1-2H3,(H,17,18,19)
• InChIKey: VLAZVJYDHYEMDA-UHFFFAOYSA-N
• XLogP: 23.72
• TPSA: 312.42 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 22
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1702.13
LogP ≤ 5	23.72
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-methoxy-4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;N-(3-phenylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol?

The IUPAC name of N-[3-(cyclohexylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-methoxy-4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;N-(3-phenylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol (CID 161328154) is N-[3-(cyclohexylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-methoxy-4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;N-(3-phenylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol.

What is the SMILES notation for N-[3-(cyclohexylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-methoxy-4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;N-(3-phenylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol?

The canonical SMILES for N-[3-(cyclohexylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-methoxy-4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;N-(3-phenylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol is COc1cc(O)ccc1-c1cccc(Nc2nccc(-c3nccs3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3nccs3)n2)c1.Oc1cccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c1.c1cc(Nc2nccc(-c3nccs3)n2)cc(OCC2CCCCC2)c1.c1ccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1.

What is the InChIKey of N-[3-(cyclohexylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-methoxy-4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;N-(3-phenylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol?

The InChIKey is VLAZVJYDHYEMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S.C20H22N4OS.C19H14N4OS.C19H14N4S.C15H14N4S/c1-26-18-12-15(25)5-6-16(18)13-3-2-4-14(11-13)23-20-22-8-7-17(24-20)19-21-9-10-27-19;1-2-5-15(6-3-1)14-25-17-8-4-7-16(13-17)23-20-22-10-9-18(24-20)19-21-11-12-26-19;24-16-6-2-4-14(12-16)13-3-1-5-15(11-13)22-19-21-8-7-17(23-19)18-20-9-10-25-18;1-2-5-14(6-3-1)15-7-4-8-16(13-15)22-19-21-10-9-17(23-19)18-20-11-12-24-18;1-10-7-11(2)9-12(8-10)18-15-17-4-3-13(19-15)14-16-5-6-20-14/h2-12,25H,1H3,(H,22,23,24);4,7-13,15H,1-3,5-6,14H2,(H,22,23,24);1-12,24H,(H,21,22,23);1-13H,(H,21,22,23);3-9H,1-2H3,(H,17,18,19).

What are the key properties of N-[3-(cyclohexylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-methoxy-4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;N-(3-phenylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol?

N-[3-(cyclohexylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-methoxy-4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;N-(3-phenylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol has a molecular weight of 1702.13 g/mol, XLogP of 23.72, 22 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(cyclohexylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-methoxy-4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol;N-(3-phenylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]phenol is sourced from PubChem (CID 161328154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).