5-(2-anilinopyrimidin-4-yl)-2-(2-ethylbutoxy)benzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide

C85H88F2N16O8 — CID 158037814

IUPAC5-(2-anilinopyrimidin-4-yl)-2-(2-ethylbutoxy)benzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(-c2ccnc(Nc3ccc(F)cc3)n2)cc1C(N)=O.CC(C)Oc1ccc(-c2ccnc(Nc3cccc(F)c3)n2)cc1C(N)=O.CCC(CC)COc1ccc(-c2ccnc(Nc3ccccc3)n2)cc1C(N)=O.Cc1cc(C)cc(Nc2nccc(-c3ccc(OC(C)C)c(C(N)=O)c3)n2)c1
InChIInChI=1S/C23H26N4O2.C22H24N4O2.2C20H19FN4O2/c1-3-16(4-2)15-29-21-11-10-17(14-19(21)22(24)28)20-12-13-25-23(27-20)26-18-8-6-5-7-9-18;1-13(2)28-20-6-5-16(12-18(20)21(23)27)19-7-8-24-22(26-19)25-17-10-14(3)9-15(4)11-17;1-12(2)27-18-8-3-13(11-16(18)19(22)26)17-9-10-23-20(25-17)24-15-6-4-14(21)5-7-15;1-12(2)27-18-7-6-13(10-16(18)19(22)26)17-8-9-23-20(25-17)24-15-5-3-4-14(21)11-15/h5-14,16H,3-4,15H2,1-2H3,(H2,24,28)(H,25,26,27);5-13H,1-4H3,(H2,23,27)(H,24,25,26);2*3-12H,1-2H3,(H2,22,26)(H,23,24,25)
InChIKeyFHZAWQDEWVXHSD-UHFFFAOYSA-N
MW1499.74 g/mol
LogP17.02
Rot. Bonds27

About 5-(2-anilinopyrimidin-4-yl)-2-(2-ethylbutoxy)benzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide

5-(2-anilinopyrimidin-4-yl)-2-(2-ethylbutoxy)benzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide (PubChem CID 158037814) has the molecular formula C85H88F2N16O8 and a molecular weight of 1499.74 g/mol. Its IUPAC name is 5-(2-anilinopyrimidin-4-yl)-2-(2-ethylbutoxy)benzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-(2-anilinopyrimidin-4-yl)-2-(2-ethylbutoxy)benzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide
PubChem CID158037814
Molecular FormulaC85H88F2N16O8
Molecular Weight1499.74 g/mol
Exact Mass1498.69
IUPAC Name5-(2-anilinopyrimidin-4-yl)-2-(2-ethylbutoxy)benzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(-c2ccnc(Nc3ccc(F)cc3)n2)cc1C(N)=O.CC(C)Oc1ccc(-c2ccnc(Nc3cccc(F)c3)n2)cc1C(N)=O.CCC(CC)COc1ccc(-c2ccnc(Nc3ccccc3)n2)cc1C(N)=O.Cc1cc(C)cc(Nc2nccc(-c3ccc(OC(C)C)c(C(N)=O)c3)n2)c1
InChIInChI=1S/C23H26N4O2.C22H24N4O2.2C20H19FN4O2/c1-3-16(4-2)15-29-21-11-10-17(14-19(21)22(24)28)20-12-13-25-23(27-20)26-18-8-6-5-7-9-18;1-13(2)28-20-6-5-16(12-18(20)21(23)27)19-7-8-24-22(26-19)25-17-10-14(3)9-15(4)11-17;1-12(2)27-18-8-3-13(11-16(18)19(22)26)17-9-10-23-20(25-17)24-15-6-4-14(21)5-7-15;1-12(2)27-18-7-6-13(10-16(18)19(22)26)17-8-9-23-20(25-17)24-15-5-3-4-14(21)11-15/h5-14,16H,3-4,15H2,1-2H3,(H2,24,28)(H,25,26,27);5-13H,1-4H3,(H2,23,27)(H,24,25,26);2*3-12H,1-2H3,(H2,22,26)(H,23,24,25)
InChIKeyFHZAWQDEWVXHSD-UHFFFAOYSA-N
XLogP17.02
TPSA360.52 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001499.74
LogP ≤ 517.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze 5-(2-anilinopyrimidin-4-yl)-2-(2-ethylbutoxy)benzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide with MolForge

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Related Compounds

N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[2-methyl-3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452739
5-[3-Methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-(pyridin-3-ylmethoxy)benzoic acid
CID 73294968
4-Fluoro-5-[[4-(4-fluoro-2-propan-2-yloxyphenyl)pyrimidin-2-yl]amino]-2-methoxybenzamide
CID 145966214
5-[[4-(2-Ethoxy-4-fluorophenyl)pyrimidin-2-yl]amino]-4-fluoro-2-methoxybenzamide
CID 145974842
[4-[[4-(4-Fluoro-2-phenylmethoxyphenyl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 171344297
5-[2-(4-Fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide
CID 10021796
5-[2-(3-Fluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide
CID 10088487
5-[2-(3,4-Difluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide
CID 10338326
4-(1-methylpiperidin-4-yloxy)-3-trifluoromethyl-N-{4-methyl-3-[4-(3-pyridyl)pyrimidin-2-ylamino]phenyl}benzamide
CID 11376424
4-(1-methylpiperidin-4-yl)oxy-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 11387453
[6-(2,4-Difluoro-phenylamino)-pyridin-3-yl]-[2-methoxy-5-(2-piperazin-1-yl-pyrimidin-4-yl)-phenyl]-methanone
CID 22349595
4-(1-methylpiperidin-4-yl)oxy-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 23145955

Frequently Asked Questions

What is the IUPAC name of 5-(2-anilinopyrimidin-4-yl)-2-(2-ethylbutoxy)benzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide?
The IUPAC name of 5-(2-anilinopyrimidin-4-yl)-2-(2-ethylbutoxy)benzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide (CID 158037814) is 5-(2-anilinopyrimidin-4-yl)-2-(2-ethylbutoxy)benzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for 5-(2-anilinopyrimidin-4-yl)-2-(2-ethylbutoxy)benzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide?
The canonical SMILES for 5-(2-anilinopyrimidin-4-yl)-2-(2-ethylbutoxy)benzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide is CC(C)Oc1ccc(-c2ccnc(Nc3ccc(F)cc3)n2)cc1C(N)=O.CC(C)Oc1ccc(-c2ccnc(Nc3cccc(F)c3)n2)cc1C(N)=O.CCC(CC)COc1ccc(-c2ccnc(Nc3ccccc3)n2)cc1C(N)=O.Cc1cc(C)cc(Nc2nccc(-c3ccc(OC(C)C)c(C(N)=O)c3)n2)c1.
What is the InChIKey of 5-(2-anilinopyrimidin-4-yl)-2-(2-ethylbutoxy)benzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide?
The InChIKey is FHZAWQDEWVXHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2.C22H24N4O2.2C20H19FN4O2/c1-3-16(4-2)15-29-21-11-10-17(14-19(21)22(24)28)20-12-13-25-23(27-20)26-18-8-6-5-7-9-18;1-13(2)28-20-6-5-16(12-18(20)21(23)27)19-7-8-24-22(26-19)25-17-10-14(3)9-15(4)11-17;1-12(2)27-18-8-3-13(11-16(18)19(22)26)17-9-10-23-20(25-17)24-15-6-4-14(21)5-7-15;1-12(2)27-18-7-6-13(10-16(18)19(22)26)17-8-9-23-20(25-17)24-15-5-3-4-14(21)11-15/h5-14,16H,3-4,15H2,1-2H3,(H2,24,28)(H,25,26,27);5-13H,1-4H3,(H2,23,27)(H,24,25,26);2*3-12H,1-2H3,(H2,22,26)(H,23,24,25).
What are the key properties of 5-(2-anilinopyrimidin-4-yl)-2-(2-ethylbutoxy)benzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide?
5-(2-anilinopyrimidin-4-yl)-2-(2-ethylbutoxy)benzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide has a molecular weight of 1499.74 g/mol, XLogP of 17.02, 27 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-anilinopyrimidin-4-yl)-2-(2-ethylbutoxy)benzamide;5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide;5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 158037814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).