1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;N-pyrimidin-4-yl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide

C115H106N28O10S2 — CID 161122770

About 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;N-pyrimidin-4-yl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide

1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;N-pyrimidin-4-yl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide (PubChem CID 161122770) has the molecular formula C115H106N28O10S2 and a molecular weight of 2104.43 g/mol. Its IUPAC name is 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;N-pyrimidin-4-yl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;N-pyrimidin-4-yl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide
• PubChem CID: 161122770
• Molecular Formula: C115H106N28O10S2
• Molecular Weight: 2104.43 g/mol
• Exact Mass: 2102.81
• IUPAC Name: 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;N-pyrimidin-4-yl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide
• SMILES: COc1cc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)ccn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4cc(-c5ccncc5)no4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4nc(-c5ccccn5)cs4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4nc(-c5ccncc5)cs4)CCOCC3)cc2)cn1.O=C(Nc1ccncn1)C1(c2ccc(-c3cnc4[nH]ccc4c3)cc2)CCC1
• InChI: InChI=1S/C24H22N6O3.2C24H22N6O2S.C22H19N5O.C21H21N5O2/c25-23-27-14-18(15-28-23)16-1-3-19(4-2-16)24(7-11-32-12-8-24)22(31)29-21-13-20(30-33-21)17-5-9-26-10-6-17;25-22-27-13-18(14-28-22)16-1-3-19(4-2-16)24(7-11-32-12-8-24)21(31)30-23-29-20(15-33-23)17-5-9-26-10-6-17;25-22-27-13-17(14-28-22)16-4-6-18(7-5-16)24(8-11-32-12-9-24)21(31)30-23-29-20(15-33-23)19-3-1-2-10-26-19;28-21(27-19-7-10-23-14-26-19)22(8-1-9-22)18-4-2-15(3-5-18)17-12-16-6-11-24-20(16)25-13-17;1-28-18-11-17(7-10-23-18)26-19(27)21(8-2-9-21)16-5-3-14(4-6-16)15-12-24-20(22)25-13-15/h1-6,9-10,13-15H,7-8,11-12H2,(H,29,31)(H2,25,27,28);1-6,9-10,13-15H,7-8,11-12H2,(H2,25,27,28)(H,29,30,31);1-7,10,13-15H,8-9,11-12H2,(H2,25,27,28)(H,29,30,31);2-7,10-14H,1,8-9H2,(H,24,25)(H,23,26,27,28);3-7,10-13H,2,8-9H2,1H3,(H2,22,24,25)(H,23,26,27)
• InChIKey: ULDZRLJEFLONOH-UHFFFAOYSA-N
• XLogP: 18.60
• TPSA: 547.45 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 24
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2104.43
LogP ≤ 5	18.60
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;N-pyrimidin-4-yl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide?

The IUPAC name of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;N-pyrimidin-4-yl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide (CID 161122770) is 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;N-pyrimidin-4-yl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide.

What is the SMILES notation for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;N-pyrimidin-4-yl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide?

The canonical SMILES for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;N-pyrimidin-4-yl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide is COc1cc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)ccn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4cc(-c5ccncc5)no4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4nc(-c5ccccn5)cs4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4nc(-c5ccncc5)cs4)CCOCC3)cc2)cn1.O=C(Nc1ccncn1)C1(c2ccc(-c3cnc4[nH]ccc4c3)cc2)CCC1.

What is the InChIKey of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;N-pyrimidin-4-yl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide?

The InChIKey is ULDZRLJEFLONOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3.2C24H22N6O2S.C22H19N5O.C21H21N5O2/c25-23-27-14-18(15-28-23)16-1-3-19(4-2-16)24(7-11-32-12-8-24)22(31)29-21-13-20(30-33-21)17-5-9-26-10-6-17;25-22-27-13-18(14-28-22)16-1-3-19(4-2-16)24(7-11-32-12-8-24)21(31)30-23-29-20(15-33-23)17-5-9-26-10-6-17;25-22-27-13-17(14-28-22)16-4-6-18(7-5-16)24(8-11-32-12-9-24)21(31)30-23-29-20(15-33-23)19-3-1-2-10-26-19;28-21(27-19-7-10-23-14-26-19)22(8-1-9-22)18-4-2-15(3-5-18)17-12-16-6-11-24-20(16)25-13-17;1-28-18-11-17(7-10-23-18)26-19(27)21(8-2-9-21)16-5-3-14(4-6-16)15-12-24-20(22)25-13-15/h1-6,9-10,13-15H,7-8,11-12H2,(H,29,31)(H2,25,27,28);1-6,9-10,13-15H,7-8,11-12H2,(H2,25,27,28)(H,29,30,31);1-7,10,13-15H,8-9,11-12H2,(H2,25,27,28)(H,29,30,31);2-7,10-14H,1,8-9H2,(H,24,25)(H,23,26,27,28);3-7,10-13H,2,8-9H2,1H3,(H2,22,24,25)(H,23,26,27).

What are the key properties of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;N-pyrimidin-4-yl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide?

1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;N-pyrimidin-4-yl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide has a molecular weight of 2104.43 g/mol, XLogP of 18.60, 24 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)oxane-4-carboxamide;N-pyrimidin-4-yl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 161122770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).