N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;N-[4-[2-[4-(4-acetylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]phenyl]acetamide;4-[4-(methylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide

C124H136N28O10 — CID 159443769

IUPACN-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;N-[4-[2-[4-(4-acetylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]phenyl]acetamide;4-[4-(methylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(CN4CCOCC4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(NC(=O)c4cccc(OCCN5CCOCC5)c4)c3)n2)cc1.CCN1CCN(Cc2cccc(Nc3nccc(-c4ccc(NC(C)=O)cc4)n3)c2)CC1.CNc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C31H32N6O4.C25H30N6O.C24H26N6O2.C23H25N5O2.C21H23N5O/c1-22(38)33-25-10-8-23(9-11-25)29-12-13-32-31(36-29)35-27-6-3-5-26(21-27)34-30(39)24-4-2-7-28(20-24)41-19-16-37-14-17-40-18-15-37;1-3-30-13-15-31(16-14-30)18-20-5-4-6-23(17-20)28-25-26-12-11-24(29-25)21-7-9-22(10-8-21)27-19(2)32;1-17(31)26-20-5-3-19(4-6-20)23-11-12-25-24(28-23)27-21-7-9-22(10-8-21)30-15-13-29(14-16-30)18(2)32;1-17(29)25-20-7-5-19(6-8-20)22-9-10-24-23(27-22)26-21-4-2-3-18(15-21)16-28-11-13-30-14-12-28;1-22-17-4-2-16(3-5-17)20-10-11-23-21(25-20)24-18-6-8-19(9-7-18)26-12-14-27-15-13-26/h2-13,20-21H,14-19H2,1H3,(H,33,38)(H,34,39)(H,32,35,36);4-12,17H,3,13-16,18H2,1-2H3,(H,27,32)(H,26,28,29);3-12H,13-16H2,1-2H3,(H,26,31)(H,25,27,28);2-10,15H,11-14,16H2,1H3,(H,25,29)(H,24,26,27);2-11,22H,12-15H2,1H3,(H,23,24,25)
InChIKeyLSMPYOLWCNHCMJ-UHFFFAOYSA-N
MW2178.64 g/mol
LogP19.75
Rot. Bonds33

About N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;N-[4-[2-[4-(4-acetylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]phenyl]acetamide;4-[4-(methylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide

N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;N-[4-[2-[4-(4-acetylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]phenyl]acetamide;4-[4-(methylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide (PubChem CID 159443769) has the molecular formula C124H136N28O10 and a molecular weight of 2178.64 g/mol. Its IUPAC name is N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;N-[4-[2-[4-(4-acetylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]phenyl]acetamide;4-[4-(methylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;N-[4-[2-[4-(4-acetylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]phenyl]acetamide;4-[4-(methylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide
PubChem CID159443769
Molecular FormulaC124H136N28O10
Molecular Weight2178.64 g/mol
Exact Mass2177.10
IUPAC NameN-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;N-[4-[2-[4-(4-acetylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]phenyl]acetamide;4-[4-(methylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(CN4CCOCC4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(NC(=O)c4cccc(OCCN5CCOCC5)c4)c3)n2)cc1.CCN1CCN(Cc2cccc(Nc3nccc(-c4ccc(NC(C)=O)cc4)n3)c2)CC1.CNc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C31H32N6O4.C25H30N6O.C24H26N6O2.C23H25N5O2.C21H23N5O/c1-22(38)33-25-10-8-23(9-11-25)29-12-13-32-31(36-29)35-27-6-3-5-26(21-27)34-30(39)24-4-2-7-28(20-24)41-19-16-37-14-17-40-18-15-37;1-3-30-13-15-31(16-14-30)18-20-5-4-6-23(17-20)28-25-26-12-11-24(29-25)21-7-9-22(10-8-21)27-19(2)32;1-17(31)26-20-5-3-19(4-6-20)23-11-12-25-24(28-23)27-21-7-9-22(10-8-21)30-15-13-29(14-16-30)18(2)32;1-17(29)25-20-7-5-19(6-8-20)22-9-10-24-23(27-22)26-21-4-2-3-18(15-21)16-28-11-13-30-14-12-28;1-22-17-4-2-16(3-5-17)20-10-11-23-21(25-20)24-18-6-8-19(9-7-18)26-12-14-27-15-13-26/h2-13,20-21H,14-19H2,1H3,(H,33,38)(H,34,39)(H,32,35,36);4-12,17H,3,13-16,18H2,1-2H3,(H,27,32)(H,26,28,29);3-12H,13-16H2,1-2H3,(H,26,31)(H,25,27,28);2-10,15H,11-14,16H2,1H3,(H,25,29)(H,24,26,27);2-11,22H,12-15H2,1H3,(H,23,24,25)
InChIKeyLSMPYOLWCNHCMJ-UHFFFAOYSA-N
XLogP19.75
TPSA423.25 Ų
H-Bond Donors11
H-Bond Acceptors32
Rotatable Bonds33
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002178.64
LogP ≤ 519.75
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;N-[4-[2-[4-(4-acetylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]phenyl]acetamide;4-[4-(methylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;N-[4-[2-[4-(4-acetylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]phenyl]acetamide;4-[4-(methylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;N-[4-[2-[4-(4-acetylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]phenyl]acetamide;4-[4-(methylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide (CID 159443769) is N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;N-[4-[2-[4-(4-acetylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]phenyl]acetamide;4-[4-(methylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;N-[4-[2-[4-(4-acetylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]phenyl]acetamide;4-[4-(methylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;N-[4-[2-[4-(4-acetylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]phenyl]acetamide;4-[4-(methylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(CN4CCOCC4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(NC(=O)c4cccc(OCCN5CCOCC5)c4)c3)n2)cc1.CCN1CCN(Cc2cccc(Nc3nccc(-c4ccc(NC(C)=O)cc4)n3)c2)CC1.CNc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.
What is the InChIKey of N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;N-[4-[2-[4-(4-acetylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]phenyl]acetamide;4-[4-(methylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide?
The InChIKey is LSMPYOLWCNHCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N6O4.C25H30N6O.C24H26N6O2.C23H25N5O2.C21H23N5O/c1-22(38)33-25-10-8-23(9-11-25)29-12-13-32-31(36-29)35-27-6-3-5-26(21-27)34-30(39)24-4-2-7-28(20-24)41-19-16-37-14-17-40-18-15-37;1-3-30-13-15-31(16-14-30)18-20-5-4-6-23(17-20)28-25-26-12-11-24(29-25)21-7-9-22(10-8-21)27-19(2)32;1-17(31)26-20-5-3-19(4-6-20)23-11-12-25-24(28-23)27-21-7-9-22(10-8-21)30-15-13-29(14-16-30)18(2)32;1-17(29)25-20-7-5-19(6-8-20)22-9-10-24-23(27-22)26-21-4-2-3-18(15-21)16-28-11-13-30-14-12-28;1-22-17-4-2-16(3-5-17)20-10-11-23-21(25-20)24-18-6-8-19(9-7-18)26-12-14-27-15-13-26/h2-13,20-21H,14-19H2,1H3,(H,33,38)(H,34,39)(H,32,35,36);4-12,17H,3,13-16,18H2,1-2H3,(H,27,32)(H,26,28,29);3-12H,13-16H2,1-2H3,(H,26,31)(H,25,27,28);2-10,15H,11-14,16H2,1H3,(H,25,29)(H,24,26,27);2-11,22H,12-15H2,1H3,(H,23,24,25).
What are the key properties of N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;N-[4-[2-[4-(4-acetylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]phenyl]acetamide;4-[4-(methylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide?
N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;N-[4-[2-[4-(4-acetylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]phenyl]acetamide;4-[4-(methylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide has a molecular weight of 2178.64 g/mol, XLogP of 19.75, 33 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;N-[4-[2-[4-(4-acetylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]phenyl]acetamide;4-[4-(methylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 159443769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).