5-(2-anilinopyrimidin-4-yl)-2-propoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzoic acid;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzonitrile

C83H83N15O8 — CID 158331337

IUPAC5-(2-anilinopyrimidin-4-yl)-2-propoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzoic acid;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzonitrile
SMILESCCCOc1ccc(-c2ccnc(Nc3ccccc3)n2)cc1C(N)=O.CCOc1ccc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)cc1C#N.CCOc1ccc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)cc1C(=O)O.CCOc1ccc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)cc1C(N)=O
InChIInChI=1S/C21H22N4O2.C21H20N4O.C21H21N3O3.C20H20N4O2/c1-4-27-19-6-5-15(12-17(19)20(22)26)18-7-8-23-21(25-18)24-16-10-13(2)9-14(3)11-16;1-4-26-20-6-5-16(12-17(20)13-22)19-7-8-23-21(25-19)24-18-10-14(2)9-15(3)11-18;1-4-27-19-6-5-15(12-17(19)20(25)26)18-7-8-22-21(24-18)23-16-10-13(2)9-14(3)11-16;1-2-12-26-18-9-8-14(13-16(18)19(21)25)17-10-11-22-20(24-17)23-15-6-4-3-5-7-15/h5-12H,4H2,1-3H3,(H2,22,26)(H,23,24,25);5-12H,4H2,1-3H3,(H,23,24,25);5-12H,4H2,1-3H3,(H,25,26)(H,22,23,24);3-11,13H,2,12H2,1H3,(H2,21,25)(H,22,23,24)
InChIKeyGQAWMAGLMYAVSH-UHFFFAOYSA-N
MW1418.67 g/mol
LogP17.15
Rot. Bonds24

About 5-(2-anilinopyrimidin-4-yl)-2-propoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzoic acid;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzonitrile

5-(2-anilinopyrimidin-4-yl)-2-propoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzoic acid;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzonitrile (PubChem CID 158331337) has the molecular formula C83H83N15O8 and a molecular weight of 1418.67 g/mol. Its IUPAC name is 5-(2-anilinopyrimidin-4-yl)-2-propoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzoic acid;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzonitrile.

Molecular Properties

Compound Name5-(2-anilinopyrimidin-4-yl)-2-propoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzoic acid;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzonitrile
PubChem CID158331337
Molecular FormulaC83H83N15O8
Molecular Weight1418.67 g/mol
Exact Mass1417.65
IUPAC Name5-(2-anilinopyrimidin-4-yl)-2-propoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzoic acid;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzonitrile
SMILESCCCOc1ccc(-c2ccnc(Nc3ccccc3)n2)cc1C(N)=O.CCOc1ccc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)cc1C#N.CCOc1ccc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)cc1C(=O)O.CCOc1ccc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)cc1C(N)=O
InChIInChI=1S/C21H22N4O2.C21H20N4O.C21H21N3O3.C20H20N4O2/c1-4-27-19-6-5-15(12-17(19)20(22)26)18-7-8-23-21(25-18)24-16-10-13(2)9-14(3)11-16;1-4-26-20-6-5-16(12-17(20)13-22)19-7-8-23-21(25-19)24-18-10-14(2)9-15(3)11-18;1-4-27-19-6-5-15(12-17(19)20(25)26)18-7-8-22-21(24-18)23-16-10-13(2)9-14(3)11-16;1-2-12-26-18-9-8-14(13-16(18)19(21)25)17-10-11-22-20(24-17)23-15-6-4-3-5-7-15/h5-12H,4H2,1-3H3,(H2,22,26)(H,23,24,25);5-12H,4H2,1-3H3,(H,23,24,25);5-12H,4H2,1-3H3,(H,25,26)(H,22,23,24);3-11,13H,2,12H2,1H3,(H2,21,25)(H,22,23,24)
InChIKeyGQAWMAGLMYAVSH-UHFFFAOYSA-N
XLogP17.15
TPSA335.43 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001418.67
LogP ≤ 517.15
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Analyze 5-(2-anilinopyrimidin-4-yl)-2-propoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzoic acid;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzonitrile with MolForge

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Related Compounds

5-[3-Methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-(pyridin-3-ylmethoxy)benzoic acid
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5-[3-Methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-phenylmethoxybenzoic acid
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5-[3-Methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-(3-phenylpropoxy)benzoic acid
CID 118307539
5-[3-Methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-(pyridin-4-ylmethoxy)benzoic acid
CID 118307586
5-[3-Methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-(2-phenylethoxy)benzoic acid
CID 118307614
2-[(2-Methoxyphenyl)methoxy]-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]benzoic acid
CID 118307632
2-[2-(1-Methylpiperidin-4-yl)ethoxy]-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]benzoic acid
CID 129010767
5-{2-[4-(Acetylamino)piperidin-1-yl]pyrimidin-4-yl}-2-ethoxybenzoic acid
CID 70757439
2-Ethoxy-5-[2-(3-methylpiperazin-1-yl)pyrimidin-4-yl]benzoic acid
CID 70778540
Aminopyrimidine derivative 10
CID 67114635
2-Ethoxy-5-{2-[(piperidin-4-ylmethyl)amino]pyrimidin-4-YL}benzoic acid
CID 70781850
N-[2-[3-cyano-4-(4,4-difluorobutanoyl)phenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[3-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl]oxyphenyl]phenyl]cyclopropanecarboxamide;trans-ethyl (1R,2R)-2-[[6-[3-cyano-4-(oxan-4-yloxy)phenyl]pyrimidin-4-yl]carbamoyl]cyclopropane-1-carboxylate
CID 157782203

Frequently Asked Questions

What is the IUPAC name of 5-(2-anilinopyrimidin-4-yl)-2-propoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzoic acid;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzonitrile?
The IUPAC name of 5-(2-anilinopyrimidin-4-yl)-2-propoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzoic acid;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzonitrile (CID 158331337) is 5-(2-anilinopyrimidin-4-yl)-2-propoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzoic acid;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzonitrile.
What is the SMILES notation for 5-(2-anilinopyrimidin-4-yl)-2-propoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzoic acid;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzonitrile?
The canonical SMILES for 5-(2-anilinopyrimidin-4-yl)-2-propoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzoic acid;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzonitrile is CCCOc1ccc(-c2ccnc(Nc3ccccc3)n2)cc1C(N)=O.CCOc1ccc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)cc1C#N.CCOc1ccc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)cc1C(=O)O.CCOc1ccc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)cc1C(N)=O.
What is the InChIKey of 5-(2-anilinopyrimidin-4-yl)-2-propoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzoic acid;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzonitrile?
The InChIKey is GQAWMAGLMYAVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2.C21H20N4O.C21H21N3O3.C20H20N4O2/c1-4-27-19-6-5-15(12-17(19)20(22)26)18-7-8-23-21(25-18)24-16-10-13(2)9-14(3)11-16;1-4-26-20-6-5-16(12-17(20)13-22)19-7-8-23-21(25-19)24-18-10-14(2)9-15(3)11-18;1-4-27-19-6-5-15(12-17(19)20(25)26)18-7-8-22-21(24-18)23-16-10-13(2)9-14(3)11-16;1-2-12-26-18-9-8-14(13-16(18)19(21)25)17-10-11-22-20(24-17)23-15-6-4-3-5-7-15/h5-12H,4H2,1-3H3,(H2,22,26)(H,23,24,25);5-12H,4H2,1-3H3,(H,23,24,25);5-12H,4H2,1-3H3,(H,25,26)(H,22,23,24);3-11,13H,2,12H2,1H3,(H2,21,25)(H,22,23,24).
What are the key properties of 5-(2-anilinopyrimidin-4-yl)-2-propoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzoic acid;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzonitrile?
5-(2-anilinopyrimidin-4-yl)-2-propoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzoic acid;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzonitrile has a molecular weight of 1418.67 g/mol, XLogP of 17.15, 24 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-anilinopyrimidin-4-yl)-2-propoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzoic acid;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-ethoxybenzonitrile is sourced from PubChem (CID 158331337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).