1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-chloro-3-fluorophenyl)oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-phenyl-3-pyridinyl)oxane-4-carboxamide

C118H107Cl2FN24O8 — CID 158050452

IUPAC1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-chloro-3-fluorophenyl)oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-phenyl-3-pyridinyl)oxane-4-carboxamide
SMILESCc1cnccc1NC(=O)C1(c2ccc(-c3cnc(N)nc3)cc2)CCC1.N#Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)cc1Cl.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5ccccc5)nc4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(Cl)c(F)c4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(Oc5ccccc5)cn4)CCC3)cc2)cn1
InChIInChI=1S/C27H25N5O2.C26H23N5O2.C22H20ClFN4O2.C22H18ClN5O.C21H21N5O/c28-26-30-16-21(17-31-26)19-6-8-22(9-7-19)27(12-14-34-15-13-27)25(33)32-23-10-11-24(29-18-23)20-4-2-1-3-5-20;27-25-29-15-19(16-30-25)18-7-9-20(10-8-18)26(13-4-14-26)24(32)31-23-12-11-22(17-28-23)33-21-5-2-1-3-6-21;23-18-6-5-17(11-19(18)24)28-20(29)22(7-9-30-10-8-22)16-3-1-14(2-4-16)15-12-26-21(25)27-13-15;23-19-10-18(7-4-15(19)11-24)28-20(29)22(8-1-9-22)17-5-2-14(3-6-17)16-12-26-21(25)27-13-16;1-14-11-23-10-7-18(14)26-19(27)21(8-2-9-21)17-5-3-15(4-6-17)16-12-24-20(22)25-13-16/h1-11,16-18H,12-15H2,(H,32,33)(H2,28,30,31);1-3,5-12,15-17H,4,13-14H2,(H2,27,29,30)(H,28,31,32);1-6,11-13H,7-10H2,(H,28,29)(H2,25,26,27);2-7,10,12-13H,1,8-9H2,(H,28,29)(H2,25,26,27);3-7,10-13H,2,8-9H2,1H3,(H2,22,24,25)(H,23,26,27)
InChIKeyFJKLKQCKDHTAKR-UHFFFAOYSA-N
MW2079.22 g/mol
LogP21.45
Rot. Bonds23

About 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-chloro-3-fluorophenyl)oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-phenyl-3-pyridinyl)oxane-4-carboxamide

1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-chloro-3-fluorophenyl)oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-phenyl-3-pyridinyl)oxane-4-carboxamide (PubChem CID 158050452) has the molecular formula C118H107Cl2FN24O8 and a molecular weight of 2079.22 g/mol. Its IUPAC name is 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-chloro-3-fluorophenyl)oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-phenyl-3-pyridinyl)oxane-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-chloro-3-fluorophenyl)oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-phenyl-3-pyridinyl)oxane-4-carboxamide
PubChem CID158050452
Molecular FormulaC118H107Cl2FN24O8
Molecular Weight2079.22 g/mol
Exact Mass2076.81
IUPAC Name1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-chloro-3-fluorophenyl)oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-phenyl-3-pyridinyl)oxane-4-carboxamide
SMILESCc1cnccc1NC(=O)C1(c2ccc(-c3cnc(N)nc3)cc2)CCC1.N#Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)cc1Cl.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5ccccc5)nc4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(Cl)c(F)c4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(Oc5ccccc5)cn4)CCC3)cc2)cn1
InChIInChI=1S/C27H25N5O2.C26H23N5O2.C22H20ClFN4O2.C22H18ClN5O.C21H21N5O/c28-26-30-16-21(17-31-26)19-6-8-22(9-7-19)27(12-14-34-15-13-27)25(33)32-23-10-11-24(29-18-23)20-4-2-1-3-5-20;27-25-29-15-19(16-30-25)18-7-9-20(10-8-18)26(13-4-14-26)24(32)31-23-12-11-22(17-28-23)33-21-5-2-1-3-6-21;23-18-6-5-17(11-19(18)24)28-20(29)22(7-9-30-10-8-22)16-3-1-14(2-4-16)15-12-26-21(25)27-13-15;23-19-10-18(7-4-15(19)11-24)28-20(29)22(8-1-9-22)17-5-2-14(3-6-17)16-12-26-21(25)27-13-16;1-14-11-23-10-7-18(14)26-19(27)21(8-2-9-21)17-5-3-15(4-6-17)16-12-24-20(22)25-13-16/h1-11,16-18H,12-15H2,(H,32,33)(H2,28,30,31);1-3,5-12,15-17H,4,13-14H2,(H2,27,29,30)(H,28,31,32);1-6,11-13H,7-10H2,(H,28,29)(H2,25,26,27);2-7,10,12-13H,1,8-9H2,(H,28,29)(H2,25,26,27);3-7,10-13H,2,8-9H2,1H3,(H2,22,24,25)(H,23,26,27)
InChIKeyFJKLKQCKDHTAKR-UHFFFAOYSA-N
XLogP21.45
TPSA494.65 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds23
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002079.22
LogP ≤ 521.45
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Analyze 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-chloro-3-fluorophenyl)oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-phenyl-3-pyridinyl)oxane-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-chloro-3-fluorophenyl)oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-phenyl-3-pyridinyl)oxane-4-carboxamide?
The IUPAC name of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-chloro-3-fluorophenyl)oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-phenyl-3-pyridinyl)oxane-4-carboxamide (CID 158050452) is 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-chloro-3-fluorophenyl)oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-phenyl-3-pyridinyl)oxane-4-carboxamide.
What is the SMILES notation for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-chloro-3-fluorophenyl)oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-phenyl-3-pyridinyl)oxane-4-carboxamide?
The canonical SMILES for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-chloro-3-fluorophenyl)oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-phenyl-3-pyridinyl)oxane-4-carboxamide is Cc1cnccc1NC(=O)C1(c2ccc(-c3cnc(N)nc3)cc2)CCC1.N#Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)cc1Cl.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5ccccc5)nc4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(Cl)c(F)c4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(Oc5ccccc5)cn4)CCC3)cc2)cn1.
What is the InChIKey of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-chloro-3-fluorophenyl)oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-phenyl-3-pyridinyl)oxane-4-carboxamide?
The InChIKey is FJKLKQCKDHTAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2.C26H23N5O2.C22H20ClFN4O2.C22H18ClN5O.C21H21N5O/c28-26-30-16-21(17-31-26)19-6-8-22(9-7-19)27(12-14-34-15-13-27)25(33)32-23-10-11-24(29-18-23)20-4-2-1-3-5-20;27-25-29-15-19(16-30-25)18-7-9-20(10-8-18)26(13-4-14-26)24(32)31-23-12-11-22(17-28-23)33-21-5-2-1-3-6-21;23-18-6-5-17(11-19(18)24)28-20(29)22(7-9-30-10-8-22)16-3-1-14(2-4-16)15-12-26-21(25)27-13-15;23-19-10-18(7-4-15(19)11-24)28-20(29)22(8-1-9-22)17-5-2-14(3-6-17)16-12-26-21(25)27-13-16;1-14-11-23-10-7-18(14)26-19(27)21(8-2-9-21)17-5-3-15(4-6-17)16-12-24-20(22)25-13-16/h1-11,16-18H,12-15H2,(H,32,33)(H2,28,30,31);1-3,5-12,15-17H,4,13-14H2,(H2,27,29,30)(H,28,31,32);1-6,11-13H,7-10H2,(H,28,29)(H2,25,26,27);2-7,10,12-13H,1,8-9H2,(H,28,29)(H2,25,26,27);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-(3-chloro-4-cyanophenyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-chloro-3-fluorophenyl)oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-phenyl-3-pyridinyl)oxane-4-carboxamide?
1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-chloro-3-fluorophenyl)oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-phenyl-3-pyridinyl)oxane-4-carboxamide has a molecular weight of 2079.22 g/mol, XLogP of 21.45, 23 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-chloro-3-fluorophenyl)oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)cyclobutane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-phenyl-3-pyridinyl)oxane-4-carboxamide is sourced from PubChem (CID 158050452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).