2-[2-[[4-[(4-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[2-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-morpholin-4-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid

C159H162Cl3F2N27O19 — CID 162159415

IUPAC2-[2-[[4-[(4-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[2-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-morpholin-4-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid
SMILESCN(C)c1nc(Cc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)nc(N2CCCC2)c1CC(=O)O.CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)nc(N2CCCC2)c1CC(=O)O.CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)nc(N2CCOCC2)c1CC(=O)O.Cc1nc(Cc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)nc(N2CCCC2)c1CC(=O)O.Cc1nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc(N(C)C)c1CC(=O)O.Cc1nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc(N2CCCC2)c1CC(=O)O
InChIInChI=1S/C29H28N4O3.C27H26N4O3.C26H28ClN5O3.C26H28FN5O4.C26H28FN5O3.C25H24Cl2N4O3/c1-19-25(18-27(34)35)28(33-14-4-5-15-33)32-26(30-19)16-20-8-12-24(13-9-20)31-29(36)23-11-10-21-6-2-3-7-22(21)17-23;1-17-23(16-25(32)33)26(31(2)3)30-24(28-17)14-18-8-12-22(13-9-18)29-27(34)21-11-10-19-6-4-5-7-20(19)15-21;1-31(2)24-21(16-23(33)34)25(32-13-3-4-14-32)30-22(29-24)15-17-5-11-20(12-6-17)28-26(35)18-7-9-19(27)10-8-18;1-31(2)24-21(16-23(33)34)25(32-11-13-36-14-12-32)30-22(29-24)15-17-3-9-20(10-4-17)28-26(35)18-5-7-19(27)8-6-18;1-31(2)24-21(16-23(33)34)25(32-13-3-4-14-32)30-22(29-24)15-17-5-11-20(12-6-17)28-26(35)18-7-9-19(27)10-8-18;1-15-19(14-23(32)33)24(31-10-2-3-11-31)30-22(28-15)12-16-4-7-18(8-5-16)29-25(34)17-6-9-20(26)21(27)13-17/h2-3,6-13,17H,4-5,14-16,18H2,1H3,(H,31,36)(H,34,35);4-13,15H,14,16H2,1-3H3,(H,29,34)(H,32,33);5-12H,3-4,13-16H2,1-2H3,(H,28,35)(H,33,34);3-10H,11-16H2,1-2H3,(H,28,35)(H,33,34);5-12H,3-4,13-16H2,1-2H3,(H,28,35)(H,33,34);4-9,13H,2-3,10-12,14H2,1H3,(H,29,34)(H,32,33)
InChIKeyZMGTUXPDYRTKCY-UHFFFAOYSA-N
MW2899.57 g/mol
LogP25.65
Rot. Bonds45

About 2-[2-[[4-[(4-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[2-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-morpholin-4-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid

2-[2-[[4-[(4-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[2-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-morpholin-4-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid (PubChem CID 162159415) has the molecular formula C159H162Cl3F2N27O19 and a molecular weight of 2899.57 g/mol. Its IUPAC name is 2-[2-[[4-[(4-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[2-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-morpholin-4-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[[4-[(4-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[2-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-morpholin-4-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid
PubChem CID162159415
Molecular FormulaC159H162Cl3F2N27O19
Molecular Weight2899.57 g/mol
Exact Mass2896.16
IUPAC Name2-[2-[[4-[(4-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[2-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-morpholin-4-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid
SMILESCN(C)c1nc(Cc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)nc(N2CCCC2)c1CC(=O)O.CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)nc(N2CCCC2)c1CC(=O)O.CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)nc(N2CCOCC2)c1CC(=O)O.Cc1nc(Cc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)nc(N2CCCC2)c1CC(=O)O.Cc1nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc(N(C)C)c1CC(=O)O.Cc1nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc(N2CCCC2)c1CC(=O)O
InChIInChI=1S/C29H28N4O3.C27H26N4O3.C26H28ClN5O3.C26H28FN5O4.C26H28FN5O3.C25H24Cl2N4O3/c1-19-25(18-27(34)35)28(33-14-4-5-15-33)32-26(30-19)16-20-8-12-24(13-9-20)31-29(36)23-11-10-21-6-2-3-7-22(21)17-23;1-17-23(16-25(32)33)26(31(2)3)30-24(28-17)14-18-8-12-22(13-9-18)29-27(34)21-11-10-19-6-4-5-7-20(19)15-21;1-31(2)24-21(16-23(33)34)25(32-13-3-4-14-32)30-22(29-24)15-17-5-11-20(12-6-17)28-26(35)18-7-9-19(27)10-8-18;1-31(2)24-21(16-23(33)34)25(32-11-13-36-14-12-32)30-22(29-24)15-17-3-9-20(10-4-17)28-26(35)18-5-7-19(27)8-6-18;1-31(2)24-21(16-23(33)34)25(32-13-3-4-14-32)30-22(29-24)15-17-5-11-20(12-6-17)28-26(35)18-7-9-19(27)10-8-18;1-15-19(14-23(32)33)24(31-10-2-3-11-31)30-22(28-15)12-16-4-7-18(8-5-16)29-25(34)17-6-9-20(26)21(27)13-17/h2-3,6-13,17H,4-5,14-16,18H2,1H3,(H,31,36)(H,34,35);4-13,15H,14,16H2,1-3H3,(H,29,34)(H,32,33);5-12H,3-4,13-16H2,1-2H3,(H,28,35)(H,33,34);3-10H,11-16H2,1-2H3,(H,28,35)(H,33,34);5-12H,3-4,13-16H2,1-2H3,(H,28,35)(H,33,34);4-9,13H,2-3,10-12,14H2,1H3,(H,29,34)(H,32,33)
InChIKeyZMGTUXPDYRTKCY-UHFFFAOYSA-N
XLogP25.65
TPSA591.47 Ų
H-Bond Donors12
H-Bond Acceptors34
Rotatable Bonds45
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002899.57
LogP ≤ 525.65
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1034

Analyze 2-[2-[[4-[(4-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[2-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-morpholin-4-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[(4-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[2-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-morpholin-4-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[2-[[4-[(4-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[2-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-morpholin-4-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid (CID 162159415) is 2-[2-[[4-[(4-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[2-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-morpholin-4-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[[4-[(4-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[2-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-morpholin-4-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-[[4-[(4-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[2-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-morpholin-4-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid is CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)nc(N2CCCC2)c1CC(=O)O.CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)nc(N2CCCC2)c1CC(=O)O.CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)nc(N2CCOCC2)c1CC(=O)O.Cc1nc(Cc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)nc(N2CCCC2)c1CC(=O)O.Cc1nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc(N(C)C)c1CC(=O)O.Cc1nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc(N2CCCC2)c1CC(=O)O.
What is the InChIKey of 2-[2-[[4-[(4-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[2-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-morpholin-4-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid?
The InChIKey is ZMGTUXPDYRTKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O3.C27H26N4O3.C26H28ClN5O3.C26H28FN5O4.C26H28FN5O3.C25H24Cl2N4O3/c1-19-25(18-27(34)35)28(33-14-4-5-15-33)32-26(30-19)16-20-8-12-24(13-9-20)31-29(36)23-11-10-21-6-2-3-7-22(21)17-23;1-17-23(16-25(32)33)26(31(2)3)30-24(28-17)14-18-8-12-22(13-9-18)29-27(34)21-11-10-19-6-4-5-7-20(19)15-21;1-31(2)24-21(16-23(33)34)25(32-13-3-4-14-32)30-22(29-24)15-17-5-11-20(12-6-17)28-26(35)18-7-9-19(27)10-8-18;1-31(2)24-21(16-23(33)34)25(32-11-13-36-14-12-32)30-22(29-24)15-17-3-9-20(10-4-17)28-26(35)18-5-7-19(27)8-6-18;1-31(2)24-21(16-23(33)34)25(32-13-3-4-14-32)30-22(29-24)15-17-5-11-20(12-6-17)28-26(35)18-7-9-19(27)10-8-18;1-15-19(14-23(32)33)24(31-10-2-3-11-31)30-22(28-15)12-16-4-7-18(8-5-16)29-25(34)17-6-9-20(26)21(27)13-17/h2-3,6-13,17H,4-5,14-16,18H2,1H3,(H,31,36)(H,34,35);4-13,15H,14,16H2,1-3H3,(H,29,34)(H,32,33);5-12H,3-4,13-16H2,1-2H3,(H,28,35)(H,33,34);3-10H,11-16H2,1-2H3,(H,28,35)(H,33,34);5-12H,3-4,13-16H2,1-2H3,(H,28,35)(H,33,34);4-9,13H,2-3,10-12,14H2,1H3,(H,29,34)(H,32,33).
What are the key properties of 2-[2-[[4-[(4-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[2-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-morpholin-4-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid?
2-[2-[[4-[(4-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[2-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-morpholin-4-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid has a molecular weight of 2899.57 g/mol, XLogP of 25.65, 45 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[(4-chlorobenzoyl)amino]phenyl]methyl]-4-(dimethylamino)-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[2-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-morpholin-4-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid is sourced from PubChem (CID 162159415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).