1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carbonitrile;1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;ethyl 2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carboxylate

C118H113N27O11S — CID 160881199

IUPAC1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carbonitrile;1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;ethyl 2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(CC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)c1.COc1ccc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)nc2)cn1.COc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)cn1.Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)nc2)cs1.N#Cc1ccnc(CC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)c1
InChIInChI=1S/C26H24N6O2.C25H26N4O4.C23H21N7OS.C23H21N5O2.C21H21N5O2/c1-34-23-10-6-19(14-29-23)18-5-9-22(28-13-18)32-24(33)26(11-2-12-26)21-7-3-17(4-8-21)20-15-30-25(27)31-16-20;1-2-33-23(31)18-7-10-27-21(13-18)14-22(30)25(8-11-32-12-9-25)20-5-3-17(4-6-20)19-15-28-24(26)29-16-19;1-14-29-19(13-32-14)15-3-6-20(26-9-15)30-21(31)23(7-2-8-23)17-4-5-18(25-12-17)16-10-27-22(24)28-11-16;24-13-16-5-8-26-20(11-16)12-21(29)23(6-9-30-10-7-23)19-3-1-17(2-4-19)18-14-27-22(25)28-15-18;1-28-18-8-7-17(13-23-18)26-19(27)21(9-2-10-21)16-5-3-14(4-6-16)15-11-24-20(22)25-12-15/h3-10,13-16H,2,11-12H2,1H3,(H2,27,30,31)(H,28,32,33);3-7,10,13,15-16H,2,8-9,11-12,14H2,1H3,(H2,26,28,29);3-6,9-13H,2,7-8H2,1H3,(H2,24,27,28)(H,26,30,31);1-5,8,11,14-15H,6-7,9-10,12H2,(H2,25,27,28);3-8,11-13H,2,9-10H2,1H3,(H,26,27)(H2,22,24,25)
InChIKeySNAZDNTZJJEHBZ-UHFFFAOYSA-N
MW2117.45 g/mol
LogP17.46
Rot. Bonds28

About 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carbonitrile;1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;ethyl 2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carboxylate

1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carbonitrile;1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;ethyl 2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carboxylate (PubChem CID 160881199) has the molecular formula C118H113N27O11S and a molecular weight of 2117.45 g/mol. Its IUPAC name is 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carbonitrile;1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;ethyl 2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carboxylate.

Molecular Properties

Compound Name1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carbonitrile;1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;ethyl 2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carboxylate
PubChem CID160881199
Molecular FormulaC118H113N27O11S
Molecular Weight2117.45 g/mol
Exact Mass2115.88
IUPAC Name1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carbonitrile;1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;ethyl 2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(CC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)c1.COc1ccc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)nc2)cn1.COc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)cn1.Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)nc2)cs1.N#Cc1ccnc(CC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)c1
InChIInChI=1S/C26H24N6O2.C25H26N4O4.C23H21N7OS.C23H21N5O2.C21H21N5O2/c1-34-23-10-6-19(14-29-23)18-5-9-22(28-13-18)32-24(33)26(11-2-12-26)21-7-3-17(4-8-21)20-15-30-25(27)31-16-20;1-2-33-23(31)18-7-10-27-21(13-18)14-22(30)25(8-11-32-12-9-25)20-5-3-17(4-6-20)19-15-28-24(26)29-16-19;1-14-29-19(13-32-14)15-3-6-20(26-9-15)30-21(31)23(7-2-8-23)17-4-5-18(25-12-17)16-10-27-22(24)28-11-16;24-13-16-5-8-26-20(11-16)12-21(29)23(6-9-30-10-7-23)19-3-1-17(2-4-19)18-14-27-22(25)28-15-18;1-28-18-8-7-17(13-23-18)26-19(27)21(9-2-10-21)16-5-3-14(4-6-16)15-11-24-20(22)25-12-15/h3-10,13-16H,2,11-12H2,1H3,(H2,27,30,31)(H,28,32,33);3-7,10,13,15-16H,2,8-9,11-12,14H2,1H3,(H2,26,28,29);3-6,9-13H,2,7-8H2,1H3,(H2,24,27,28)(H,26,30,31);1-5,8,11,14-15H,6-7,9-10,12H2,(H2,25,27,28);3-8,11-13H,2,9-10H2,1H3,(H,26,27)(H2,22,24,25)
InChIKeySNAZDNTZJJEHBZ-UHFFFAOYSA-N
XLogP17.46
TPSA570.57 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds28
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002117.45
LogP ≤ 517.46
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Analyze 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carbonitrile;1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;ethyl 2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carbonitrile;1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;ethyl 2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carboxylate?
The IUPAC name of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carbonitrile;1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;ethyl 2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carboxylate (CID 160881199) is 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carbonitrile;1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;ethyl 2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carboxylate.
What is the SMILES notation for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carbonitrile;1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;ethyl 2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carboxylate?
The canonical SMILES for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carbonitrile;1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;ethyl 2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carboxylate is CCOC(=O)c1ccnc(CC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)c1.COc1ccc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)nc2)cn1.COc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)cn1.Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)nc2)cs1.N#Cc1ccnc(CC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)c1.
What is the InChIKey of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carbonitrile;1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;ethyl 2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carboxylate?
The InChIKey is SNAZDNTZJJEHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2.C25H26N4O4.C23H21N7OS.C23H21N5O2.C21H21N5O2/c1-34-23-10-6-19(14-29-23)18-5-9-22(28-13-18)32-24(33)26(11-2-12-26)21-7-3-17(4-8-21)20-15-30-25(27)31-16-20;1-2-33-23(31)18-7-10-27-21(13-18)14-22(30)25(8-11-32-12-9-25)20-5-3-17(4-6-20)19-15-28-24(26)29-16-19;1-14-29-19(13-32-14)15-3-6-20(26-9-15)30-21(31)23(7-2-8-23)17-4-5-18(25-12-17)16-10-27-22(24)28-11-16;24-13-16-5-8-26-20(11-16)12-21(29)23(6-9-30-10-7-23)19-3-1-17(2-4-19)18-14-27-22(25)28-15-18;1-28-18-8-7-17(13-23-18)26-19(27)21(9-2-10-21)16-5-3-14(4-6-16)15-11-24-20(22)25-12-15/h3-10,13-16H,2,11-12H2,1H3,(H2,27,30,31)(H,28,32,33);3-7,10,13,15-16H,2,8-9,11-12,14H2,1H3,(H2,26,28,29);3-6,9-13H,2,7-8H2,1H3,(H2,24,27,28)(H,26,30,31);1-5,8,11,14-15H,6-7,9-10,12H2,(H2,25,27,28);3-8,11-13H,2,9-10H2,1H3,(H,26,27)(H2,22,24,25).
What are the key properties of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carbonitrile;1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;ethyl 2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carboxylate?
1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carbonitrile;1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;ethyl 2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carboxylate has a molecular weight of 2117.45 g/mol, XLogP of 17.46, 28 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide;2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carbonitrile;1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;ethyl 2-[2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-oxoethyl]pyridine-4-carboxylate is sourced from PubChem (CID 160881199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).