2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-morpholin-4-ylsulfonylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide

C107H110N22O11S2 — CID 158459196

About 2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-morpholin-4-ylsulfonylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide

2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-morpholin-4-ylsulfonylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide (PubChem CID 158459196) has the molecular formula C107H110N22O11S2 and a molecular weight of 1944.33 g/mol. Its IUPAC name is 2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-morpholin-4-ylsulfonylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide.

Molecular Properties

• Compound Name: 2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-morpholin-4-ylsulfonylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide
• PubChem CID: 158459196
• Molecular Formula: C107H110N22O11S2
• Molecular Weight: 1944.33 g/mol
• Exact Mass: 1942.82
• IUPAC Name: 2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-morpholin-4-ylsulfonylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide
• SMILES: COc1ccc(-c2ccc(NC(=O)C(C)(c3ccc(-c4cnc(N)nc4)cc3)C(C)C)nc2)cn1.COc1ccc(-c2ccc(NC(=O)C(C)(c3ccc(-c4cnc5c(c4)CCN5)cc3)C(C)C)nc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4cccc(S(=O)(=O)N5CCOCC5)c4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4nc(-c5ccccc5)ns4)CCOCC3)cc2)cn1
• InChI: InChI=1S/C30H31N5O2.C27H28N6O2.C26H29N5O5S.C24H22N6O2S/c1-19(2)30(3,25-9-5-20(6-10-25)24-15-21-13-14-31-28(21)34-18-24)29(36)35-26-11-7-22(16-32-26)23-8-12-27(37-4)33-17-23;1-17(2)27(3,22-9-5-18(6-10-22)21-15-31-26(28)32-16-21)25(34)33-23-11-7-19(13-29-23)20-8-12-24(35-4)30-14-20;27-25-28-17-20(18-29-25)19-4-6-21(7-5-19)26(8-12-35-13-9-26)24(32)30-22-2-1-3-23(16-22)37(33,34)31-10-14-36-15-11-31;25-22-26-14-18(15-27-22)16-6-8-19(9-7-16)24(10-12-32-13-11-24)21(31)29-23-28-20(30-33-23)17-4-2-1-3-5-17/h5-12,15-19H,13-14H2,1-4H3,(H,31,34)(H,32,35,36);5-17H,1-4H3,(H2,28,31,32)(H,29,33,34);1-7,16-18H,8-15H2,(H,30,32)(H2,27,28,29);1-9,14-15H,10-13H2,(H2,25,26,27)(H,28,29,30,31)
• InChIKey: HEYNOJMQOZGISL-UHFFFAOYSA-N
• XLogP: 16.84
• TPSA: 457.59 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 25
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1944.33
LogP ≤ 5	16.84
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-morpholin-4-ylsulfonylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide?

The IUPAC name of 2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-morpholin-4-ylsulfonylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide (CID 158459196) is 2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-morpholin-4-ylsulfonylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide.

What is the SMILES notation for 2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-morpholin-4-ylsulfonylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide?

The canonical SMILES for 2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-morpholin-4-ylsulfonylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide is COc1ccc(-c2ccc(NC(=O)C(C)(c3ccc(-c4cnc(N)nc4)cc3)C(C)C)nc2)cn1.COc1ccc(-c2ccc(NC(=O)C(C)(c3ccc(-c4cnc5c(c4)CCN5)cc3)C(C)C)nc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4cccc(S(=O)(=O)N5CCOCC5)c4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4nc(-c5ccccc5)ns4)CCOCC3)cc2)cn1.

What is the InChIKey of 2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-morpholin-4-ylsulfonylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide?

The InChIKey is HEYNOJMQOZGISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O2.C27H28N6O2.C26H29N5O5S.C24H22N6O2S/c1-19(2)30(3,25-9-5-20(6-10-25)24-15-21-13-14-31-28(21)34-18-24)29(36)35-26-11-7-22(16-32-26)23-8-12-27(37-4)33-17-23;1-17(2)27(3,22-9-5-18(6-10-22)21-15-31-26(28)32-16-21)25(34)33-23-11-7-19(13-29-23)20-8-12-24(35-4)30-14-20;27-25-28-17-20(18-29-25)19-4-6-21(7-5-19)26(8-12-35-13-9-26)24(32)30-22-2-1-3-23(16-22)37(33,34)31-10-14-36-15-11-31;25-22-26-14-18(15-27-22)16-6-8-19(9-7-16)24(10-12-32-13-11-24)21(31)29-23-28-20(30-33-23)17-4-2-1-3-5-17/h5-12,15-19H,13-14H2,1-4H3,(H,31,34)(H,32,35,36);5-17H,1-4H3,(H2,28,31,32)(H,29,33,34);1-7,16-18H,8-15H2,(H,30,32)(H2,27,28,29);1-9,14-15H,10-13H2,(H2,25,26,27)(H,28,29,30,31).

What are the key properties of 2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-morpholin-4-ylsulfonylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide?

2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-morpholin-4-ylsulfonylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide has a molecular weight of 1944.33 g/mol, XLogP of 16.84, 25 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-morpholin-4-ylsulfonylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-4-carboxamide;2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide is sourced from PubChem (CID 158459196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).