4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;1-[3-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propan-2-one;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide

C140H144F3N29O11 — CID 158654922

IUPAC4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;1-[3-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propan-2-one;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide
SMILESCC(=O)Cc1cccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1.CC(=O)N(C)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.CC(=O)Nc1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)ncc2C(F)(F)F)cc1.CC(=O)Nc1ccccc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1.CN(C)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)c1ccccc1
InChIInChI=1S/C27H25N5O2.C23H22F3N5O2.C23H25N5O2.C23H24N4O2.C22H23N5O2.C22H25N5O/c33-26(21-4-2-1-3-5-21)29-22-8-6-20(7-9-22)25-14-15-28-27(31-25)30-23-10-12-24(13-11-23)32-16-18-34-19-17-32;1-15(32)28-17-4-2-16(3-5-17)21-20(23(24,25)26)14-27-22(30-21)29-18-6-8-19(9-7-18)31-10-12-33-13-11-31;1-17(29)27(2)20-7-3-18(4-8-20)22-11-12-24-23(26-22)25-19-5-9-21(10-6-19)28-13-15-30-16-14-28;1-17(28)15-18-3-2-4-19(16-18)22-9-10-24-23(26-22)25-20-5-7-21(8-6-20)27-11-13-29-14-12-27;1-16(28)24-20-5-3-2-4-19(20)21-10-11-23-22(26-21)25-17-6-8-18(9-7-17)27-12-14-29-15-13-27;1-26(2)19-7-3-17(4-8-19)21-11-12-23-22(25-21)24-18-5-9-20(10-6-18)27-13-15-28-16-14-27/h1-15H,16-19H2,(H,29,33)(H,28,30,31);2-9,14H,10-13H2,1H3,(H,28,32)(H,27,29,30);3-12H,13-16H2,1-2H3,(H,24,25,26);2-10,16H,11-15H2,1H3,(H,24,25,26);2-11H,12-15H2,1H3,(H,24,28)(H,23,25,26);3-12H,13-16H2,1-2H3,(H,23,24,25)
InChIKeyIBZXTFNYZRXAIE-UHFFFAOYSA-N
MW2465.88 g/mol
LogP24.71
Rot. Bonds32

About 4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;1-[3-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propan-2-one;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide

4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;1-[3-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propan-2-one;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide (PubChem CID 158654922) has the molecular formula C140H144F3N29O11 and a molecular weight of 2465.88 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;1-[3-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propan-2-one;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;1-[3-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propan-2-one;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide
PubChem CID158654922
Molecular FormulaC140H144F3N29O11
Molecular Weight2465.88 g/mol
Exact Mass2464.16
IUPAC Name4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;1-[3-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propan-2-one;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide
SMILESCC(=O)Cc1cccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1.CC(=O)N(C)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.CC(=O)Nc1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)ncc2C(F)(F)F)cc1.CC(=O)Nc1ccccc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1.CN(C)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)c1ccccc1
InChIInChI=1S/C27H25N5O2.C23H22F3N5O2.C23H25N5O2.C23H24N4O2.C22H23N5O2.C22H25N5O/c33-26(21-4-2-1-3-5-21)29-22-8-6-20(7-9-22)25-14-15-28-27(31-25)30-23-10-12-24(13-11-23)32-16-18-34-19-17-32;1-15(32)28-17-4-2-16(3-5-17)21-20(23(24,25)26)14-27-22(30-21)29-18-6-8-19(9-7-18)31-10-12-33-13-11-31;1-17(29)27(2)20-7-3-18(4-8-20)22-11-12-24-23(26-22)25-19-5-9-21(10-6-19)28-13-15-30-16-14-28;1-17(28)15-18-3-2-4-19(16-18)22-9-10-24-23(26-22)25-20-5-7-21(8-6-20)27-11-13-29-14-12-27;1-16(28)24-20-5-3-2-4-19(20)21-10-11-23-22(26-21)25-17-6-8-18(9-7-17)27-12-14-29-15-13-27;1-26(2)19-7-3-17(4-8-19)21-11-12-23-22(25-21)24-18-5-9-20(10-6-18)27-13-15-28-16-14-27/h1-15H,16-19H2,(H,29,33)(H,28,30,31);2-9,14H,10-13H2,1H3,(H,28,32)(H,27,29,30);3-12H,13-16H2,1-2H3,(H,24,25,26);2-10,16H,11-15H2,1H3,(H,24,25,26);2-11H,12-15H2,1H3,(H,24,28)(H,23,25,26);3-12H,13-16H2,1-2H3,(H,23,24,25)
InChIKeyIBZXTFNYZRXAIE-UHFFFAOYSA-N
XLogP24.71
TPSA429.60 Ų
H-Bond Donors9
H-Bond Acceptors36
Rotatable Bonds32
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002465.88
LogP ≤ 524.71
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;1-[3-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propan-2-one;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide with MolForge

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Related Compounds

4-methyl-N-(2-methyl-3-(trifluoromethyl)phenyl)-3-(2-(3-morpholinopropylamino)quinazolin-6-yl)benzamide
CID 16086116
4-methyl-3-(2-(methyl(3-morpholinopropyl)amino)quinazolin-6-yl)-N-(2-methyl-3-(trifluoromethyl)phenyl)benzamide
CID 16086117
N-(2,6-dimethylphenyl)-4-[[5-methyl-4-(4-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]benzamide
CID 72725627
N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-4-[[4-phenyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 127029264
N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-4-[[4-pyridin-3-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 127029265
N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 86298300
(4-(8-(6-Methylpyridin-3-yl)quinazolin-2-ylamino)phenyl)(morpholino)methanone
CID 54585213
Benzamide, N-[2-methyl-5-(4-morpholinylmethyl)phenyl]-4-[[4-(2-pyridinyl)-5-(trifluoromethyl)-2-pyrimidinyl]amino]-
CID 127029266
N-[4-methyl-3-[1-methyl-7-(3-morpholin-4-ylpropylamino)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 127030484
N-[4-methyl-3-[1-methyl-7-[(6-methyl-3-pyridinyl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 145970783
N-[6-methyl-5-(6-morpholin-4-yl-2-piperazin-1-ylpyrimidin-4-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117610033
4-[[4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide
CID 169265922

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;1-[3-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propan-2-one;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;1-[3-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propan-2-one;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide (CID 158654922) is 4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;1-[3-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propan-2-one;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;1-[3-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propan-2-one;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;1-[3-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propan-2-one;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide is CC(=O)Cc1cccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1.CC(=O)N(C)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.CC(=O)Nc1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)ncc2C(F)(F)F)cc1.CC(=O)Nc1ccccc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1.CN(C)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)c1ccccc1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;1-[3-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propan-2-one;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide?
The InChIKey is IBZXTFNYZRXAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2.C23H22F3N5O2.C23H25N5O2.C23H24N4O2.C22H23N5O2.C22H25N5O/c33-26(21-4-2-1-3-5-21)29-22-8-6-20(7-9-22)25-14-15-28-27(31-25)30-23-10-12-24(13-11-23)32-16-18-34-19-17-32;1-15(32)28-17-4-2-16(3-5-17)21-20(23(24,25)26)14-27-22(30-21)29-18-6-8-19(9-7-18)31-10-12-33-13-11-31;1-17(29)27(2)20-7-3-18(4-8-20)22-11-12-24-23(26-22)25-19-5-9-21(10-6-19)28-13-15-30-16-14-28;1-17(28)15-18-3-2-4-19(16-18)22-9-10-24-23(26-22)25-20-5-7-21(8-6-20)27-11-13-29-14-12-27;1-16(28)24-20-5-3-2-4-19(20)21-10-11-23-22(26-21)25-17-6-8-18(9-7-17)27-12-14-29-15-13-27;1-26(2)19-7-3-17(4-8-19)21-11-12-23-22(25-21)24-18-5-9-20(10-6-18)27-13-15-28-16-14-27/h1-15H,16-19H2,(H,29,33)(H,28,30,31);2-9,14H,10-13H2,1H3,(H,28,32)(H,27,29,30);3-12H,13-16H2,1-2H3,(H,24,25,26);2-10,16H,11-15H2,1H3,(H,24,25,26);2-11H,12-15H2,1H3,(H,24,28)(H,23,25,26);3-12H,13-16H2,1-2H3,(H,23,24,25).
What are the key properties of 4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;1-[3-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propan-2-one;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide?
4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;1-[3-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propan-2-one;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide has a molecular weight of 2465.88 g/mol, XLogP of 24.71, 32 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;N-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;1-[3-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propan-2-one;N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 158654922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).