4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-phenoxyphenyl)oxane-4-carboxamide;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide

C118H112ClN25O11S — CID 162027879

IUPAC4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-phenoxyphenyl)oxane-4-carboxamide;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)cn1.Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cn4)CCOCC3)nc2)cs1.N#Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)cc1Cl.Nc1ncc(-c2ccc(C3(C(=O)Cc4ccccn4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(Oc5ccccc5)cc4)CCOCC3)cc2)cn1
InChIInChI=1S/C28H26N4O3.C24H23N7O2S.C23H20ClN5O2.C22H23N5O3.C21H20N4O/c29-27-30-18-21(19-31-27)20-6-8-22(9-7-20)28(14-16-34-17-15-28)26(33)32-23-10-12-25(13-11-23)35-24-4-2-1-3-5-24;1-15-30-19(14-34-15)17-3-5-21(27-11-17)31-22(32)24(6-8-33-9-7-24)20-4-2-16(10-26-20)18-12-28-23(25)29-13-18;24-20-11-19(6-3-16(20)12-25)29-21(30)23(7-9-31-10-8-23)18-4-1-15(2-5-18)17-13-27-22(26)28-14-17;1-29-19-7-6-18(14-24-19)27-20(28)22(8-10-30-11-9-22)17-4-2-15(3-5-17)16-12-25-21(23)26-13-16;22-20-24-13-16(14-25-20)15-5-7-17(8-6-15)21(9-3-10-21)19(26)12-18-4-1-2-11-23-18/h1-13,18-19H,14-17H2,(H,32,33)(H2,29,30,31);2-5,10-14H,6-9H2,1H3,(H2,25,28,29)(H,27,31,32);1-6,11,13-14H,7-10H2,(H,29,30)(H2,26,27,28);2-7,12-14H,8-11H2,1H3,(H,27,28)(H2,23,25,26);1-2,4-8,11,13-14H,3,9-10,12H2,(H2,22,24,25)
InChIKeyYVPWVDBBRYZUMK-UHFFFAOYSA-N
MW2123.88 g/mol
LogP18.95
Rot. Bonds25

About 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-phenoxyphenyl)oxane-4-carboxamide;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide

4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-phenoxyphenyl)oxane-4-carboxamide;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide (PubChem CID 162027879) has the molecular formula C118H112ClN25O11S and a molecular weight of 2123.88 g/mol. Its IUPAC name is 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-phenoxyphenyl)oxane-4-carboxamide;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-phenoxyphenyl)oxane-4-carboxamide;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
PubChem CID162027879
Molecular FormulaC118H112ClN25O11S
Molecular Weight2123.88 g/mol
Exact Mass2121.84
IUPAC Name4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-phenoxyphenyl)oxane-4-carboxamide;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)cn1.Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cn4)CCOCC3)nc2)cs1.N#Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)cc1Cl.Nc1ncc(-c2ccc(C3(C(=O)Cc4ccccn4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(Oc5ccccc5)cc4)CCOCC3)cc2)cn1
InChIInChI=1S/C28H26N4O3.C24H23N7O2S.C23H20ClN5O2.C22H23N5O3.C21H20N4O/c29-27-30-18-21(19-31-27)20-6-8-22(9-7-20)28(14-16-34-17-15-28)26(33)32-23-10-12-25(13-11-23)35-24-4-2-1-3-5-24;1-15-30-19(14-34-15)17-3-5-21(27-11-17)31-22(32)24(6-8-33-9-7-24)20-4-2-16(10-26-20)18-12-28-23(25)29-13-18;24-20-11-19(6-3-16(20)12-25)29-21(30)23(7-9-31-10-8-23)18-4-1-15(2-5-18)17-13-27-22(26)28-14-17;1-29-19-7-6-18(14-24-19)27-20(28)22(8-10-30-11-9-22)17-4-2-15(3-5-17)16-12-25-21(23)26-13-16;22-20-24-13-16(14-25-20)15-5-7-17(8-6-15)21(9-3-10-21)19(26)12-18-4-1-2-11-23-18/h1-13,18-19H,14-17H2,(H,32,33)(H2,29,30,31);2-5,10-14H,6-9H2,1H3,(H2,25,28,29)(H,27,31,32);1-6,11,13-14H,7-10H2,(H,29,30)(H2,26,27,28);2-7,12-14H,8-11H2,1H3,(H,27,28)(H2,23,25,26);1-2,4-8,11,13-14H,3,9-10,12H2,(H2,22,24,25)
InChIKeyYVPWVDBBRYZUMK-UHFFFAOYSA-N
XLogP18.95
TPSA536.09 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds25
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002123.88
LogP ≤ 518.95
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

Analyze 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-phenoxyphenyl)oxane-4-carboxamide;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-phenoxyphenyl)oxane-4-carboxamide;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
The IUPAC name of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-phenoxyphenyl)oxane-4-carboxamide;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide (CID 162027879) is 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-phenoxyphenyl)oxane-4-carboxamide;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-phenoxyphenyl)oxane-4-carboxamide;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-phenoxyphenyl)oxane-4-carboxamide;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide is COc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)cn1.Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cn4)CCOCC3)nc2)cs1.N#Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)cc1Cl.Nc1ncc(-c2ccc(C3(C(=O)Cc4ccccn4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(Oc5ccccc5)cc4)CCOCC3)cc2)cn1.
What is the InChIKey of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-phenoxyphenyl)oxane-4-carboxamide;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
The InChIKey is YVPWVDBBRYZUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3.C24H23N7O2S.C23H20ClN5O2.C22H23N5O3.C21H20N4O/c29-27-30-18-21(19-31-27)20-6-8-22(9-7-20)28(14-16-34-17-15-28)26(33)32-23-10-12-25(13-11-23)35-24-4-2-1-3-5-24;1-15-30-19(14-34-15)17-3-5-21(27-11-17)31-22(32)24(6-8-33-9-7-24)20-4-2-16(10-26-20)18-12-28-23(25)29-13-18;24-20-11-19(6-3-16(20)12-25)29-21(30)23(7-9-31-10-8-23)18-4-1-15(2-5-18)17-13-27-22(26)28-14-17;1-29-19-7-6-18(14-24-19)27-20(28)22(8-10-30-11-9-22)17-4-2-15(3-5-17)16-12-25-21(23)26-13-16;22-20-24-13-16(14-25-20)15-5-7-17(8-6-15)21(9-3-10-21)19(26)12-18-4-1-2-11-23-18/h1-13,18-19H,14-17H2,(H,32,33)(H2,29,30,31);2-5,10-14H,6-9H2,1H3,(H2,25,28,29)(H,27,31,32);1-6,11,13-14H,7-10H2,(H,29,30)(H2,26,27,28);2-7,12-14H,8-11H2,1H3,(H,27,28)(H2,23,25,26);1-2,4-8,11,13-14H,3,9-10,12H2,(H2,22,24,25).
What are the key properties of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-phenoxyphenyl)oxane-4-carboxamide;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-phenoxyphenyl)oxane-4-carboxamide;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide has a molecular weight of 2123.88 g/mol, XLogP of 18.95, 25 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-phenoxyphenyl)oxane-4-carboxamide;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 162027879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).