N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-methoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-phenylphenyl)acetamide;2-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-N-[2-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl]carbamate

C93H86F3N17O15 — CID 157293313

IUPACN-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-methoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-phenylphenyl)acetamide;2-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-N-[2-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl]carbamate
SMILESCC(=O)Nc1cc(Oc2ccc(CC(=O)Nc3ccccc3C(F)(F)F)cc2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)cc2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)cc2)ncn1.COc1ccc(CC(=O)Nc2ccc(Oc3cc(NC(C)=O)ncn3)cc2)cc1
InChIInChI=1S/C26H22N4O3.C25H27N5O5.C21H17F3N4O3.C21H20N4O4/c1-18(31)29-24-16-26(28-17-27-24)33-23-13-11-22(12-14-23)30-25(32)15-19-7-9-21(10-8-19)20-5-3-2-4-6-20;1-16(31)28-20-14-21(27-15-26-20)34-19-12-10-18(11-13-19)29-23(32)22(17-8-6-5-7-9-17)30-24(33)35-25(2,3)4;1-13(29)27-18-11-20(26-12-25-18)31-15-8-6-14(7-9-15)10-19(30)28-17-5-3-2-4-16(17)21(22,23)24;1-14(26)24-19-12-21(23-13-22-19)29-18-9-5-16(6-10-18)25-20(27)11-15-3-7-17(28-2)8-4-15/h2-14,16-17H,15H2,1H3,(H,30,32)(H,27,28,29,31);5-15,22H,1-4H3,(H,29,32)(H,30,33)(H,26,27,28,31);2-9,11-12H,10H2,1H3,(H,28,30)(H,25,26,27,29);3-10,12-13H,11H2,1-2H3,(H,25,27)(H,22,23,24,26)/t;22-;;/m.1../s1
InChIKeyBBBCGAUJBKTBKK-XUCQTQJZSA-N
MW1738.81 g/mol
LogP17.35
Rot. Bonds27

About N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-methoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-phenylphenyl)acetamide;2-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-N-[2-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl]carbamate

N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-methoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-phenylphenyl)acetamide;2-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-N-[2-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl]carbamate (PubChem CID 157293313) has the molecular formula C93H86F3N17O15 and a molecular weight of 1738.81 g/mol. Its IUPAC name is N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-methoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-phenylphenyl)acetamide;2-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-N-[2-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl]carbamate.

Molecular Properties

Compound NameN-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-methoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-phenylphenyl)acetamide;2-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-N-[2-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl]carbamate
PubChem CID157293313
Molecular FormulaC93H86F3N17O15
Molecular Weight1738.81 g/mol
Exact Mass1737.64
IUPAC NameN-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-methoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-phenylphenyl)acetamide;2-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-N-[2-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl]carbamate
SMILESCC(=O)Nc1cc(Oc2ccc(CC(=O)Nc3ccccc3C(F)(F)F)cc2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)cc2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)cc2)ncn1.COc1ccc(CC(=O)Nc2ccc(Oc3cc(NC(C)=O)ncn3)cc2)cc1
InChIInChI=1S/C26H22N4O3.C25H27N5O5.C21H17F3N4O3.C21H20N4O4/c1-18(31)29-24-16-26(28-17-27-24)33-23-13-11-22(12-14-23)30-25(32)15-19-7-9-21(10-8-19)20-5-3-2-4-6-20;1-16(31)28-20-14-21(27-15-26-20)34-19-12-10-18(11-13-19)29-23(32)22(17-8-6-5-7-9-17)30-24(33)35-25(2,3)4;1-13(29)27-18-11-20(26-12-25-18)31-15-8-6-14(7-9-15)10-19(30)28-17-5-3-2-4-16(17)21(22,23)24;1-14(26)24-19-12-21(23-13-22-19)29-18-9-5-16(6-10-18)25-20(27)11-15-3-7-17(28-2)8-4-15/h2-14,16-17H,15H2,1H3,(H,30,32)(H,27,28,29,31);5-15,22H,1-4H3,(H,29,32)(H,30,33)(H,26,27,28,31);2-9,11-12H,10H2,1H3,(H,28,30)(H,25,26,27,29);3-10,12-13H,11H2,1-2H3,(H,25,27)(H,22,23,24,26)/t;22-;;/m.1../s1
InChIKeyBBBCGAUJBKTBKK-XUCQTQJZSA-N
XLogP17.35
TPSA420.40 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds27
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001738.81
LogP ≤ 517.35
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Analyze N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-methoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-phenylphenyl)acetamide;2-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-N-[2-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl]carbamate with MolForge

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Related Compounds

(2,4,6-trimethylphenyl) N-[[3-[2-(butan-2-ylamino)-2-oxoethyl]phenyl]methyl]-N-[2-[3-fluoro-4-[3-(4-methylpiperazin-1-yl)propoxy]anilino]pyrimidin-4-yl]carbamate
CID 69062422
N-[6-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoyl-sulfanylamino]phenoxy]pyrimidin-4-yl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxamide
CID 88542114
N-[6-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoyl-sulfanylamino]phenoxy]pyrimidin-4-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 88542119
[5-[2-(butan-2-ylamino)-2-oxoethyl]-2-(2,3,4-trimethylphenyl)phenyl]methyl N-[2-[3-fluoro-4-(3-piperidin-1-ylpropoxy)anilino]pyrimidin-4-yl]carbamate
CID 91205060
[5-[2-(butan-2-ylamino)-2-oxoethyl]-2-(2,3,4-trimethylphenyl)phenyl]methyl N-[2-[3-fluoro-4-[3-(4-methylpiperazin-1-yl)propoxy]anilino]pyrimidin-4-yl]carbamate
CID 91562223
tert-butyl (3S)-4-[6-[4-[[2-(2,4-difluorophenyl)acetyl]amino]phenoxy]pyrimidin-4-yl]-3-ethylpiperazine-1-carboxylate
CID 141526997
tert-butyl (2R)-4-[6-[4-[[2-(2,4-difluorophenyl)acetyl]amino]phenoxy]pyrimidin-4-yl]-2-methylpiperazine-1-carboxylate
CID 141527084
2-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]acetic acid;2-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 155191238
1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;N-[6-[4-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide
CID 157050583
[4-(4-Hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-(3-phenoxypropyl)pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-(4-phenylbutyl)pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-(3-phenylmethoxypropyl)pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-(5-phenylpentyl)pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]methylamino]pyrimidin-4-yl]methanone
CID 157237072
1-[4-[6-(2-methylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2S)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(3R)-3-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[4-[6-(piperidin-4-ylamino)pyrimidin-4-yl]oxyphenyl]urea
CID 157457595
1-[4-[6-(2-aminoethylamino)pyrimidin-4-yl]oxyphenyl]-3-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[4-[6-(2-aminoethylamino)pyrimidin-4-yl]oxyphenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;tert-butyl (3R)-3-ethyl-4-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl (3S)-3-(hydroxymethyl)-4-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl N-[(2R)-2-[[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]amino]propyl]carbamate
CID 158001611

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-methoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-phenylphenyl)acetamide;2-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-N-[2-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl]carbamate?
The IUPAC name of N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-methoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-phenylphenyl)acetamide;2-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-N-[2-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl]carbamate (CID 157293313) is N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-methoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-phenylphenyl)acetamide;2-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-N-[2-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl]carbamate.
What is the SMILES notation for N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-methoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-phenylphenyl)acetamide;2-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-N-[2-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl]carbamate?
The canonical SMILES for N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-methoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-phenylphenyl)acetamide;2-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-N-[2-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl]carbamate is CC(=O)Nc1cc(Oc2ccc(CC(=O)Nc3ccccc3C(F)(F)F)cc2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)cc2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)cc2)ncn1.COc1ccc(CC(=O)Nc2ccc(Oc3cc(NC(C)=O)ncn3)cc2)cc1.
What is the InChIKey of N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-methoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-phenylphenyl)acetamide;2-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-N-[2-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl]carbamate?
The InChIKey is BBBCGAUJBKTBKK-XUCQTQJZSA-N. The full InChI is InChI=1S/C26H22N4O3.C25H27N5O5.C21H17F3N4O3.C21H20N4O4/c1-18(31)29-24-16-26(28-17-27-24)33-23-13-11-22(12-14-23)30-25(32)15-19-7-9-21(10-8-19)20-5-3-2-4-6-20;1-16(31)28-20-14-21(27-15-26-20)34-19-12-10-18(11-13-19)29-23(32)22(17-8-6-5-7-9-17)30-24(33)35-25(2,3)4;1-13(29)27-18-11-20(26-12-25-18)31-15-8-6-14(7-9-15)10-19(30)28-17-5-3-2-4-16(17)21(22,23)24;1-14(26)24-19-12-21(23-13-22-19)29-18-9-5-16(6-10-18)25-20(27)11-15-3-7-17(28-2)8-4-15/h2-14,16-17H,15H2,1H3,(H,30,32)(H,27,28,29,31);5-15,22H,1-4H3,(H,29,32)(H,30,33)(H,26,27,28,31);2-9,11-12H,10H2,1H3,(H,28,30)(H,25,26,27,29);3-10,12-13H,11H2,1-2H3,(H,25,27)(H,22,23,24,26)/t;22-;;/m.1../s1.
What are the key properties of N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-methoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-phenylphenyl)acetamide;2-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-N-[2-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl]carbamate?
N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-methoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-phenylphenyl)acetamide;2-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-N-[2-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl]carbamate has a molecular weight of 1738.81 g/mol, XLogP of 17.35, 27 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-methoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-phenylphenyl)acetamide;2-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-N-[2-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl]carbamate is sourced from PubChem (CID 157293313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).