2-[2-[[4-[(4-bromobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[[4-[(3-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[1-[4-[(3,4-dichlorobenzoyl)amino]phenyl]ethyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[1-[4-(naphthalene-2-carbonylamino)phenyl]ethyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid

C164H155BrCl3F7N28O22 — CID 159782930

IUPAC2-[2-[[4-[(4-bromobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[[4-[(3-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[1-[4-[(3,4-dichlorobenzoyl)amino]phenyl]ethyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[1-[4-(naphthalene-2-carbonylamino)phenyl]ethyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid
SMILESCC(c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ncc(CC(=O)O)c(N(C)C)n1.CC(c1ccc(NC(=O)c2ccc3ccccc3c2)cc1)c1ncc(CC(=O)O)c(N(C)C)n1.CN(C)c1nc(Cc2ccc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)cc2)ncc1CC(=O)O.CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)ncc1CC(=O)O.CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)ncc1CC(=O)O.CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2)ncc1CC(=O)O.CN(C)c1nc(Cc2ccc(NC(=O)c3cccc(Cl)c3)cc2)ncc1CC(=O)O
InChIInChI=1S/C27H26N4O3.C25H23F3N4O3.C23H22Cl2N4O3.C23H21F3N4O4.C22H21BrN4O3.C22H21ClN4O3.C22H21FN4O3/c1-17(25-28-16-22(15-24(32)33)26(30-25)31(2)3)18-10-12-23(13-11-18)29-27(34)21-9-8-19-6-4-5-7-20(19)14-21;1-32(2)24-18(14-23(34)35)15-29-21(31-24)13-17-5-10-20(11-6-17)30-22(33)12-7-16-3-8-19(9-4-16)25(26,27)28;1-13(21-26-12-16(11-20(30)31)22(28-21)29(2)3)14-4-7-17(8-5-14)27-23(32)15-6-9-18(24)19(25)10-15;1-30(2)21-16(12-20(31)32)13-27-19(29-21)11-14-3-7-17(8-4-14)28-22(33)15-5-9-18(10-6-15)34-23(24,25)26;1-27(2)21-16(12-20(28)29)13-24-19(26-21)11-14-3-9-18(10-4-14)25-22(30)15-5-7-17(23)8-6-15;1-27(2)21-16(12-20(28)29)13-24-19(26-21)10-14-6-8-18(9-7-14)25-22(30)15-4-3-5-17(23)11-15;1-27(2)21-16(12-20(28)29)13-24-19(26-21)11-14-3-9-18(10-4-14)25-22(30)15-5-7-17(23)8-6-15/h4-14,16-17H,15H2,1-3H3,(H,29,34)(H,32,33);3-12,15H,13-14H2,1-2H3,(H,30,33)(H,34,35);4-10,12-13H,11H2,1-3H3,(H,27,32)(H,30,31);3-10,13H,11-12H2,1-2H3,(H,28,33)(H,31,32);3-10,13H,11-12H2,1-2H3,(H,25,30)(H,28,29);3-9,11,13H,10,12H2,1-2H3,(H,25,30)(H,28,29);3-10,13H,11-12H2,1-2H3,(H,25,30)(H,28,29)/b;12-7+;;;;;
InChIKeyNHOZMYILGPLATN-WAXFMVCUSA-N
MW3189.47 g/mol
LogP28.54
Rot. Bonds51

About 2-[2-[[4-[(4-bromobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[[4-[(3-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[1-[4-[(3,4-dichlorobenzoyl)amino]phenyl]ethyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[1-[4-(naphthalene-2-carbonylamino)phenyl]ethyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid

2-[2-[[4-[(4-bromobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[[4-[(3-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[1-[4-[(3,4-dichlorobenzoyl)amino]phenyl]ethyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[1-[4-(naphthalene-2-carbonylamino)phenyl]ethyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid (PubChem CID 159782930) has the molecular formula C164H155BrCl3F7N28O22 and a molecular weight of 3189.47 g/mol. Its IUPAC name is 2-[2-[[4-[(4-bromobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[[4-[(3-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[1-[4-[(3,4-dichlorobenzoyl)amino]phenyl]ethyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[1-[4-(naphthalene-2-carbonylamino)phenyl]ethyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[[4-[(4-bromobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[[4-[(3-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[1-[4-[(3,4-dichlorobenzoyl)amino]phenyl]ethyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[1-[4-(naphthalene-2-carbonylamino)phenyl]ethyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid
PubChem CID159782930
Molecular FormulaC164H155BrCl3F7N28O22
Molecular Weight3189.47 g/mol
Exact Mass3185.00
IUPAC Name2-[2-[[4-[(4-bromobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[[4-[(3-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[1-[4-[(3,4-dichlorobenzoyl)amino]phenyl]ethyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[1-[4-(naphthalene-2-carbonylamino)phenyl]ethyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid
SMILESCC(c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ncc(CC(=O)O)c(N(C)C)n1.CC(c1ccc(NC(=O)c2ccc3ccccc3c2)cc1)c1ncc(CC(=O)O)c(N(C)C)n1.CN(C)c1nc(Cc2ccc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)cc2)ncc1CC(=O)O.CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)ncc1CC(=O)O.CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)ncc1CC(=O)O.CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2)ncc1CC(=O)O.CN(C)c1nc(Cc2ccc(NC(=O)c3cccc(Cl)c3)cc2)ncc1CC(=O)O
InChIInChI=1S/C27H26N4O3.C25H23F3N4O3.C23H22Cl2N4O3.C23H21F3N4O4.C22H21BrN4O3.C22H21ClN4O3.C22H21FN4O3/c1-17(25-28-16-22(15-24(32)33)26(30-25)31(2)3)18-10-12-23(13-11-18)29-27(34)21-9-8-19-6-4-5-7-20(19)14-21;1-32(2)24-18(14-23(34)35)15-29-21(31-24)13-17-5-10-20(11-6-17)30-22(33)12-7-16-3-8-19(9-4-16)25(26,27)28;1-13(21-26-12-16(11-20(30)31)22(28-21)29(2)3)14-4-7-17(8-5-14)27-23(32)15-6-9-18(24)19(25)10-15;1-30(2)21-16(12-20(31)32)13-27-19(29-21)11-14-3-7-17(8-4-14)28-22(33)15-5-9-18(10-6-15)34-23(24,25)26;1-27(2)21-16(12-20(28)29)13-24-19(26-21)11-14-3-9-18(10-4-14)25-22(30)15-5-7-17(23)8-6-15;1-27(2)21-16(12-20(28)29)13-24-19(26-21)10-14-6-8-18(9-7-14)25-22(30)15-4-3-5-17(23)11-15;1-27(2)21-16(12-20(28)29)13-24-19(26-21)11-14-3-9-18(10-4-14)25-22(30)15-5-7-17(23)8-6-15/h4-14,16-17H,15H2,1-3H3,(H,29,34)(H,32,33);3-12,15H,13-14H2,1-2H3,(H,30,33)(H,34,35);4-10,12-13H,11H2,1-3H3,(H,27,32)(H,30,31);3-10,13H,11-12H2,1-2H3,(H,28,33)(H,31,32);3-10,13H,11-12H2,1-2H3,(H,25,30)(H,28,29);3-9,11,13H,10,12H2,1-2H3,(H,25,30)(H,28,29);3-10,13H,11-12H2,1-2H3,(H,25,30)(H,28,29)/b;12-7+;;;;;
InChIKeyNHOZMYILGPLATN-WAXFMVCUSA-N
XLogP28.54
TPSA677.17 Ų
H-Bond Donors14
H-Bond Acceptors36
Rotatable Bonds51
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003189.47
LogP ≤ 528.54
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[2-[[4-[(4-bromobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[[4-[(3-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[1-[4-[(3,4-dichlorobenzoyl)amino]phenyl]ethyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[1-[4-(naphthalene-2-carbonylamino)phenyl]ethyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[(4-bromobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[[4-[(3-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[1-[4-[(3,4-dichlorobenzoyl)amino]phenyl]ethyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[1-[4-(naphthalene-2-carbonylamino)phenyl]ethyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[2-[[4-[(4-bromobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[[4-[(3-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[1-[4-[(3,4-dichlorobenzoyl)amino]phenyl]ethyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[1-[4-(naphthalene-2-carbonylamino)phenyl]ethyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid (CID 159782930) is 2-[2-[[4-[(4-bromobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[[4-[(3-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[1-[4-[(3,4-dichlorobenzoyl)amino]phenyl]ethyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[1-[4-(naphthalene-2-carbonylamino)phenyl]ethyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[[4-[(4-bromobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[[4-[(3-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[1-[4-[(3,4-dichlorobenzoyl)amino]phenyl]ethyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[1-[4-(naphthalene-2-carbonylamino)phenyl]ethyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-[[4-[(4-bromobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[[4-[(3-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[1-[4-[(3,4-dichlorobenzoyl)amino]phenyl]ethyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[1-[4-(naphthalene-2-carbonylamino)phenyl]ethyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid is CC(c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ncc(CC(=O)O)c(N(C)C)n1.CC(c1ccc(NC(=O)c2ccc3ccccc3c2)cc1)c1ncc(CC(=O)O)c(N(C)C)n1.CN(C)c1nc(Cc2ccc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)cc2)ncc1CC(=O)O.CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)ncc1CC(=O)O.CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)ncc1CC(=O)O.CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2)ncc1CC(=O)O.CN(C)c1nc(Cc2ccc(NC(=O)c3cccc(Cl)c3)cc2)ncc1CC(=O)O.
What is the InChIKey of 2-[2-[[4-[(4-bromobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[[4-[(3-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[1-[4-[(3,4-dichlorobenzoyl)amino]phenyl]ethyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[1-[4-(naphthalene-2-carbonylamino)phenyl]ethyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid?
The InChIKey is NHOZMYILGPLATN-WAXFMVCUSA-N. The full InChI is InChI=1S/C27H26N4O3.C25H23F3N4O3.C23H22Cl2N4O3.C23H21F3N4O4.C22H21BrN4O3.C22H21ClN4O3.C22H21FN4O3/c1-17(25-28-16-22(15-24(32)33)26(30-25)31(2)3)18-10-12-23(13-11-18)29-27(34)21-9-8-19-6-4-5-7-20(19)14-21;1-32(2)24-18(14-23(34)35)15-29-21(31-24)13-17-5-10-20(11-6-17)30-22(33)12-7-16-3-8-19(9-4-16)25(26,27)28;1-13(21-26-12-16(11-20(30)31)22(28-21)29(2)3)14-4-7-17(8-5-14)27-23(32)15-6-9-18(24)19(25)10-15;1-30(2)21-16(12-20(31)32)13-27-19(29-21)11-14-3-7-17(8-4-14)28-22(33)15-5-9-18(10-6-15)34-23(24,25)26;1-27(2)21-16(12-20(28)29)13-24-19(26-21)11-14-3-9-18(10-4-14)25-22(30)15-5-7-17(23)8-6-15;1-27(2)21-16(12-20(28)29)13-24-19(26-21)10-14-6-8-18(9-7-14)25-22(30)15-4-3-5-17(23)11-15;1-27(2)21-16(12-20(28)29)13-24-19(26-21)11-14-3-9-18(10-4-14)25-22(30)15-5-7-17(23)8-6-15/h4-14,16-17H,15H2,1-3H3,(H,29,34)(H,32,33);3-12,15H,13-14H2,1-2H3,(H,30,33)(H,34,35);4-10,12-13H,11H2,1-3H3,(H,27,32)(H,30,31);3-10,13H,11-12H2,1-2H3,(H,28,33)(H,31,32);3-10,13H,11-12H2,1-2H3,(H,25,30)(H,28,29);3-9,11,13H,10,12H2,1-2H3,(H,25,30)(H,28,29);3-10,13H,11-12H2,1-2H3,(H,25,30)(H,28,29)/b;12-7+;;;;;.
What are the key properties of 2-[2-[[4-[(4-bromobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[[4-[(3-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[1-[4-[(3,4-dichlorobenzoyl)amino]phenyl]ethyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[1-[4-(naphthalene-2-carbonylamino)phenyl]ethyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid?
2-[2-[[4-[(4-bromobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[[4-[(3-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[1-[4-[(3,4-dichlorobenzoyl)amino]phenyl]ethyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[1-[4-(naphthalene-2-carbonylamino)phenyl]ethyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid has a molecular weight of 3189.47 g/mol, XLogP of 28.54, 51 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[(4-bromobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[[4-[(3-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[2-[1-[4-[(3,4-dichlorobenzoyl)amino]phenyl]ethyl]-4-(dimethylamino)pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[1-[4-(naphthalene-2-carbonylamino)phenyl]ethyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 159782930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).