3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;ethyl 3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]propanoate;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

C114H114N36O10 — CID 158638922

About 3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;ethyl 3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]propanoate;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;ethyl 3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]propanoate;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (PubChem CID 158638922) has the molecular formula C114H114N36O10 and a molecular weight of 2148.41 g/mol. Its IUPAC name is 3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;ethyl 3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]propanoate;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;ethyl 3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]propanoate;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• PubChem CID: 158638922
• Molecular Formula: C114H114N36O10
• Molecular Weight: 2148.41 g/mol
• Exact Mass: 2146.95
• IUPAC Name: 3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;ethyl 3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]propanoate;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• SMILES: CC(O)CNc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CCOC(=O)CCc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.COCCN(C)c1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.Cn1cccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)c1=O.Cn1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)c1
• InChI: InChI=1S/C25H25N7O3.C24H26N8O2.C23H24N8O2.C22H20N6O2.C20H19N7O/c1-2-34-21(33)9-8-19-14-28-20(15-27-19)22-31-23(32-35-22)25(10-3-11-25)18-6-4-16(5-7-18)17-12-29-24(26)30-13-17;1-32(10-11-33-2)20-15-26-19(14-27-20)21-30-22(31-34-21)24(8-3-9-24)18-6-4-16(5-7-18)17-12-28-23(25)29-13-17;1-14(32)9-26-19-13-25-18(12-27-19)20-30-21(31-33-20)23(7-2-8-23)17-5-3-15(4-6-17)16-10-28-22(24)29-11-16;1-28-11-2-4-17(19(28)29)18-26-20(27-30-18)22(9-3-10-22)16-7-5-14(6-8-16)15-12-24-21(23)25-13-15;1-27-11-16(24-12-27)17-25-18(26-28-17)20(7-2-8-20)15-5-3-13(4-6-15)14-9-22-19(21)23-10-14/h4-7,12-15H,2-3,8-11H2,1H3,(H2,26,29,30);4-7,12-15H,3,8-11H2,1-2H3,(H2,25,28,29);3-6,10-14,32H,2,7-9H2,1H3,(H,26,27)(H2,24,28,29);2,4-8,11-13H,3,9-10H2,1H3,(H2,23,24,25);3-6,9-12H,2,7-8H2,1H3,(H2,21,22,23)
• InChIKey: IACYIJZEIDZFRF-UHFFFAOYSA-N
• XLogP: 15.40
• TPSA: 641.79 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 46
• Rotatable Bonds: 31
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2148.41
LogP ≤ 5	15.40
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;ethyl 3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]propanoate;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The IUPAC name of 3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;ethyl 3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]propanoate;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (CID 158638922) is 3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;ethyl 3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]propanoate;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for 3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;ethyl 3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]propanoate;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The canonical SMILES for 3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;ethyl 3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]propanoate;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is CC(O)CNc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CCOC(=O)CCc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.COCCN(C)c1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.Cn1cccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)c1=O.Cn1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)c1.

What is the InChIKey of 3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;ethyl 3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]propanoate;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The InChIKey is IACYIJZEIDZFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O3.C24H26N8O2.C23H24N8O2.C22H20N6O2.C20H19N7O/c1-2-34-21(33)9-8-19-14-28-20(15-27-19)22-31-23(32-35-22)25(10-3-11-25)18-6-4-16(5-7-18)17-12-29-24(26)30-13-17;1-32(10-11-33-2)20-15-26-19(14-27-20)21-30-22(31-34-21)24(8-3-9-24)18-6-4-16(5-7-18)17-12-28-23(25)29-13-17;1-14(32)9-26-19-13-25-18(12-27-19)20-30-21(31-33-20)23(7-2-8-23)17-5-3-15(4-6-17)16-10-28-22(24)29-11-16;1-28-11-2-4-17(19(28)29)18-26-20(27-30-18)22(9-3-10-22)16-7-5-14(6-8-16)15-12-24-21(23)25-13-15;1-27-11-16(24-12-27)17-25-18(26-28-17)20(7-2-8-20)15-5-3-13(4-6-15)14-9-22-19(21)23-10-14/h4-7,12-15H,2-3,8-11H2,1H3,(H2,26,29,30);4-7,12-15H,3,8-11H2,1-2H3,(H2,25,28,29);3-6,10-14,32H,2,7-9H2,1H3,(H,26,27)(H2,24,28,29);2,4-8,11-13H,3,9-10H2,1H3,(H2,23,24,25);3-6,9-12H,2,7-8H2,1H3,(H2,21,22,23).

What are the key properties of 3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;ethyl 3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]propanoate;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;ethyl 3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]propanoate;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine has a molecular weight of 2148.41 g/mol, XLogP of 15.40, 31 rotatable bonds, 7 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;ethyl 3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]propanoate;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 158638922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).