2-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-1-ol;(2S)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[3-methyl-2-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine

C110H124N42O7 — CID 157387911

About 2-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-1-ol;(2S)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[3-methyl-2-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine

2-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-1-ol;(2S)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[3-methyl-2-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 157387911) has the molecular formula C110H124N42O7 and a molecular weight of 2146.49 g/mol. Its IUPAC name is 2-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-1-ol;(2S)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[3-methyl-2-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 2-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-1-ol;(2S)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[3-methyl-2-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
• PubChem CID: 157387911
• Molecular Formula: C110H124N42O7
• Molecular Weight: 2146.49 g/mol
• Exact Mass: 2145.06
• IUPAC Name: 2-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-1-ol;(2S)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[3-methyl-2-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
• SMILES: CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cn(C)cn2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnc(NC(C)(C)CO)cn2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnc(NC[C@H](C)O)cn2)n1.CC(c1ccc(-c2ccc(N)nc2)nc1)(c1noc(-c2cn[nH]c2)n1)C1CC1.CN(C)CCn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C3CC3)no2)cn1
• InChI: InChI=1S/C24H29N9O2.C23H27N9O2.C23H27N9O.C20H22N8O.C20H19N7O/c1-14(2)24(5,16-6-7-17(26-10-16)15-8-29-22(25)30-9-15)21-31-20(35-33-21)18-11-28-19(12-27-18)32-23(3,4)13-34;1-13(2)23(4,16-5-6-17(25-10-16)15-8-29-22(24)30-9-15)21-31-20(34-32-21)18-11-28-19(12-26-18)27-7-14(3)33;1-23(17-4-5-17,18-6-7-19(25-13-18)15-10-26-22(24)27-11-15)21-29-20(33-30-21)16-12-28-32(14-16)9-8-31(2)3;1-12(2)20(3,18-26-17(29-27-18)16-10-28(4)11-25-16)14-5-6-15(22-9-14)13-7-23-19(21)24-8-13;1-20(14-3-4-14,19-26-18(28-27-19)13-9-24-25-10-13)15-5-6-16(22-11-15)12-2-7-17(21)23-8-12/h6-12,14,34H,13H2,1-5H3,(H,28,32)(H2,25,29,30);5-6,8-14,33H,7H2,1-4H3,(H,27,28)(H2,24,29,30);6-7,10-14,17H,4-5,8-9H2,1-3H3,(H2,24,26,27);5-12H,1-4H3,(H2,21,23,24);2,5-11,14H,3-4H2,1H3,(H2,21,23)(H,24,25)/t;14-,23?;23-;;/m.01../s1
• InChIKey: BLQLTQRSFCDENH-NDUQFALRSA-N
• XLogP: 14.55
• TPSA: 688.80 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 48
• Rotatable Bonds: 34
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2146.49
LogP ≤ 5	14.55
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-1-ol;(2S)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[3-methyl-2-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?

The IUPAC name of 2-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-1-ol;(2S)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[3-methyl-2-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine (CID 157387911) is 2-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-1-ol;(2S)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[3-methyl-2-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine.

What is the SMILES notation for 2-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-1-ol;(2S)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[3-methyl-2-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?

The canonical SMILES for 2-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-1-ol;(2S)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[3-methyl-2-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine is CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cn(C)cn2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnc(NC(C)(C)CO)cn2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnc(NC[C@H](C)O)cn2)n1.CC(c1ccc(-c2ccc(N)nc2)nc1)(c1noc(-c2cn[nH]c2)n1)C1CC1.CN(C)CCn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C3CC3)no2)cn1.

What is the InChIKey of 2-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-1-ol;(2S)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[3-methyl-2-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?

The InChIKey is BLQLTQRSFCDENH-NDUQFALRSA-N. The full InChI is InChI=1S/C24H29N9O2.C23H27N9O2.C23H27N9O.C20H22N8O.C20H19N7O/c1-14(2)24(5,16-6-7-17(26-10-16)15-8-29-22(25)30-9-15)21-31-20(35-33-21)18-11-28-19(12-27-18)32-23(3,4)13-34;1-13(2)23(4,16-5-6-17(25-10-16)15-8-29-22(24)30-9-15)21-31-20(34-32-21)18-11-28-19(12-26-18)27-7-14(3)33;1-23(17-4-5-17,18-6-7-19(25-13-18)15-10-26-22(24)27-11-15)21-29-20(33-30-21)16-12-28-32(14-16)9-8-31(2)3;1-12(2)20(3,18-26-17(29-27-18)16-10-28(4)11-25-16)14-5-6-15(22-9-14)13-7-23-19(21)24-8-13;1-20(14-3-4-14,19-26-18(28-27-19)13-9-24-25-10-13)15-5-6-16(22-11-15)12-2-7-17(21)23-8-12/h6-12,14,34H,13H2,1-5H3,(H,28,32)(H2,25,29,30);5-6,8-14,33H,7H2,1-4H3,(H,27,28)(H2,24,29,30);6-7,10-14,17H,4-5,8-9H2,1-3H3,(H2,24,26,27);5-12H,1-4H3,(H2,21,23,24);2,5-11,14H,3-4H2,1H3,(H2,21,23)(H,24,25)/t;14-,23?;23-;;/m.01../s1.

What are the key properties of 2-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-1-ol;(2S)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[3-methyl-2-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?

2-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-1-ol;(2S)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[3-methyl-2-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 2146.49 g/mol, XLogP of 14.55, 34 rotatable bonds, 10 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-1-ol;(2S)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[3-methyl-2-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 157387911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).