1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-cyclohexylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide;1-[4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone

C131H130N28O10S — CID 161399843

About 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-cyclohexylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide;1-[4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone

1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-cyclohexylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide;1-[4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone (PubChem CID 161399843) has the molecular formula C131H130N28O10S and a molecular weight of 2288.73 g/mol. Its IUPAC name is 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-cyclohexylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide;1-[4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-cyclohexylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide;1-[4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone
• PubChem CID: 161399843
• Molecular Formula: C131H130N28O10S
• Molecular Weight: 2288.73 g/mol
• Exact Mass: 2287.02
• IUPAC Name: 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-cyclohexylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide;1-[4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone
• SMILES: COc1cncc(-c2ccc(CC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)nc2)c1.COc1cncc(-c2ccc(CC(=O)C3(c4ccc(-c5cnc(N)nc5)nc4)CCOCC3)nc2)c1.Cc1nc(-c2ccc(CC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)nc2)cs1.Cc1nnnn1-c1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)cc1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(C5CCCCC5)cc4)CCOCC3)cc2)cn1
• InChI: InChI=1S/C28H32N4O2.C27H26N6O3.C27H25N5O2.C25H23N5OS.C24H24N8O2/c29-27-30-18-23(19-31-27)22-6-10-24(11-7-22)28(14-16-34-17-15-28)26(33)32-25-12-8-21(9-13-25)20-4-2-1-3-5-20;1-35-23-10-19(12-29-17-23)18-2-4-22(30-13-18)11-25(34)27(6-8-36-9-7-27)21-3-5-24(31-16-21)20-14-32-26(28)33-15-20;1-34-24-11-20(13-29-17-24)19-5-8-23(30-14-19)12-25(33)27(9-2-10-27)22-6-3-18(4-7-22)21-15-31-26(28)32-16-21;1-16-30-22(15-32-16)18-5-8-21(27-12-18)11-23(31)25(9-2-10-25)20-6-3-17(4-7-20)19-13-28-24(26)29-14-19;1-16-29-30-31-32(16)21-8-6-20(7-9-21)28-22(33)24(10-12-34-13-11-24)19-4-2-17(3-5-19)18-14-26-23(25)27-15-18/h6-13,18-20H,1-5,14-17H2,(H,32,33)(H2,29,30,31);2-5,10,12-17H,6-9,11H2,1H3,(H2,28,32,33);3-8,11,13-17H,2,9-10,12H2,1H3,(H2,28,31,32);3-8,12-15H,2,9-11H2,1H3,(H2,26,28,29);2-9,14-15H,10-13H2,1H3,(H,28,33)(H2,25,26,27)
• InChIKey: VUBYCQBSYYLDAV-UHFFFAOYSA-N
• XLogP: 20.81
• TPSA: 548.39 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 30
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2288.73
LogP ≤ 5	20.81
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-cyclohexylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide;1-[4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone?

The IUPAC name of 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-cyclohexylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide;1-[4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone (CID 161399843) is 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-cyclohexylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide;1-[4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone.

What is the SMILES notation for 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-cyclohexylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide;1-[4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone?

The canonical SMILES for 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-cyclohexylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide;1-[4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone is COc1cncc(-c2ccc(CC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)nc2)c1.COc1cncc(-c2ccc(CC(=O)C3(c4ccc(-c5cnc(N)nc5)nc4)CCOCC3)nc2)c1.Cc1nc(-c2ccc(CC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)nc2)cs1.Cc1nnnn1-c1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)cc1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(C5CCCCC5)cc4)CCOCC3)cc2)cn1.

What is the InChIKey of 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-cyclohexylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide;1-[4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone?

The InChIKey is VUBYCQBSYYLDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2.C27H26N6O3.C27H25N5O2.C25H23N5OS.C24H24N8O2/c29-27-30-18-23(19-31-27)22-6-10-24(11-7-22)28(14-16-34-17-15-28)26(33)32-25-12-8-21(9-13-25)20-4-2-1-3-5-20;1-35-23-10-19(12-29-17-23)18-2-4-22(30-13-18)11-25(34)27(6-8-36-9-7-27)21-3-5-24(31-16-21)20-14-32-26(28)33-15-20;1-34-24-11-20(13-29-17-24)19-5-8-23(30-14-19)12-25(33)27(9-2-10-27)22-6-3-18(4-7-22)21-15-31-26(28)32-16-21;1-16-30-22(15-32-16)18-5-8-21(27-12-18)11-23(31)25(9-2-10-25)20-6-3-17(4-7-20)19-13-28-24(26)29-14-19;1-16-29-30-31-32(16)21-8-6-20(7-9-21)28-22(33)24(10-12-34-13-11-24)19-4-2-17(3-5-19)18-14-26-23(25)27-15-18/h6-13,18-20H,1-5,14-17H2,(H,32,33)(H2,29,30,31);2-5,10,12-17H,6-9,11H2,1H3,(H2,28,32,33);3-8,11,13-17H,2,9-10,12H2,1H3,(H2,28,31,32);3-8,12-15H,2,9-11H2,1H3,(H2,26,28,29);2-9,14-15H,10-13H2,1H3,(H,28,33)(H2,25,26,27).

What are the key properties of 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-cyclohexylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide;1-[4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone?

1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-cyclohexylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide;1-[4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone has a molecular weight of 2288.73 g/mol, XLogP of 20.81, 30 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-cyclohexylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide;1-[4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]oxan-4-yl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 161399843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).