3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;2-N-tert-butyl-4-N-(3-methoxy-5-methylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(7-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;ethyl 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzoate

C111H145F3N28O5 — CID 162098370

IUPAC3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;2-N-tert-butyl-4-N-(3-methoxy-5-methylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(7-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;ethyl 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzoate
SMILESCCOC(=O)c1cccc(Nc2nc(NC(C)(C)C)ncc2C)c1C.COc1cc(C)cc(Nc2nc(NC(C)(C)C)ncc2C)c1.Cc1cccc(NC(=O)Nc2cccc(Nc3nc(NC(C)(C)C)ncc3C)c2)c1.Cc1cnc(NC(C)(C)C)nc1Nc1ccc(C)c2[nH]ccc12.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(F)(F)F)c1C.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(N)=O)c1C
InChIInChI=1S/C23H28N6O.C19H26N4O2.C18H23N5.C17H21F3N4.C17H23N5O.C17H24N4O/c1-15-8-6-9-17(12-15)26-22(30)27-19-11-7-10-18(13-19)25-20-16(2)14-24-21(28-20)29-23(3,4)5;1-7-25-17(24)14-9-8-10-15(13(14)3)21-16-12(2)11-20-18(22-16)23-19(4,5)6;1-11-6-7-14(13-8-9-19-15(11)13)21-16-12(2)10-20-17(22-16)23-18(3,4)5;1-10-9-21-15(24-16(3,4)5)23-14(10)22-13-8-6-7-12(11(13)2)17(18,19)20;1-10-9-19-16(22-17(3,4)5)21-15(10)20-13-8-6-7-12(11(13)2)14(18)23;1-11-7-13(9-14(8-11)22-6)19-15-12(2)10-18-16(20-15)21-17(3,4)5/h6-14H,1-5H3,(H2,26,27,30)(H2,24,25,28,29);8-11H,7H2,1-6H3,(H2,20,21,22,23);6-10,19H,1-5H3,(H2,20,21,22,23);6-9H,1-5H3,(H2,21,22,23,24);6-9H,1-5H3,(H2,18,23)(H2,19,20,21,22);7-10H,1-6H3,(H2,18,19,20,21)
InChIKeyZENZBGCTMXTUHK-UHFFFAOYSA-N
MW2008.57 g/mol
LogP26.71
Rot. Bonds24

About 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;2-N-tert-butyl-4-N-(3-methoxy-5-methylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(7-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;ethyl 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzoate

3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;2-N-tert-butyl-4-N-(3-methoxy-5-methylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(7-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;ethyl 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzoate (PubChem CID 162098370) has the molecular formula C111H145F3N28O5 and a molecular weight of 2008.57 g/mol. Its IUPAC name is 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;2-N-tert-butyl-4-N-(3-methoxy-5-methylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(7-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;ethyl 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzoate.

Molecular Properties

Compound Name3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;2-N-tert-butyl-4-N-(3-methoxy-5-methylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(7-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;ethyl 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzoate
PubChem CID162098370
Molecular FormulaC111H145F3N28O5
Molecular Weight2008.57 g/mol
Exact Mass2007.19
IUPAC Name3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;2-N-tert-butyl-4-N-(3-methoxy-5-methylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(7-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;ethyl 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzoate
SMILESCCOC(=O)c1cccc(Nc2nc(NC(C)(C)C)ncc2C)c1C.COc1cc(C)cc(Nc2nc(NC(C)(C)C)ncc2C)c1.Cc1cccc(NC(=O)Nc2cccc(Nc3nc(NC(C)(C)C)ncc3C)c2)c1.Cc1cnc(NC(C)(C)C)nc1Nc1ccc(C)c2[nH]ccc12.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(F)(F)F)c1C.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(N)=O)c1C
InChIInChI=1S/C23H28N6O.C19H26N4O2.C18H23N5.C17H21F3N4.C17H23N5O.C17H24N4O/c1-15-8-6-9-17(12-15)26-22(30)27-19-11-7-10-18(13-19)25-20-16(2)14-24-21(28-20)29-23(3,4)5;1-7-25-17(24)14-9-8-10-15(13(14)3)21-16-12(2)11-20-18(22-16)23-19(4,5)6;1-11-6-7-14(13-8-9-19-15(11)13)21-16-12(2)10-20-17(22-16)23-18(3,4)5;1-10-9-21-15(24-16(3,4)5)23-14(10)22-13-8-6-7-12(11(13)2)17(18,19)20;1-10-9-19-16(22-17(3,4)5)21-15(10)20-13-8-6-7-12(11(13)2)14(18)23;1-11-7-13(9-14(8-11)22-6)19-15-12(2)10-18-16(20-15)21-17(3,4)5/h6-14H,1-5H3,(H2,26,27,30)(H2,24,25,28,29);8-11H,7H2,1-6H3,(H2,20,21,22,23);6-10,19H,1-5H3,(H2,20,21,22,23);6-9H,1-5H3,(H2,21,22,23,24);6-9H,1-5H3,(H2,18,23)(H2,19,20,21,22);7-10H,1-6H3,(H2,18,19,20,21)
InChIKeyZENZBGCTMXTUHK-UHFFFAOYSA-N
XLogP26.71
TPSA434.58 Ų
H-Bond Donors16
H-Bond Acceptors29
Rotatable Bonds24
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002008.57
LogP ≤ 526.71
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1029

Analyze 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;2-N-tert-butyl-4-N-(3-methoxy-5-methylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(7-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;ethyl 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[6-[4-[[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]methyl]piperazin-1-yl]-4-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155166642
3-[6-[4-[2-[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-4-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155166745
3-(13-ethyl-12-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-11-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-methoxybenzamide
CID 15950600
4-Methyl-3-(9h-pyrimido[4,5-b]indol-7-yl)-n-[3-(trifluoromethoxy)phenyl]benzamide
CID 25150894
3-[2-amino-8-(1H-indol-5-yl)-7-methoxyquinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 66898821
3-methoxy-5-[(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 118474650
2-[3-fluoro-4-[[5-fluoro-2-methyl-3-[6-[4-[1-(3-piperidin-4-ylpropyl)piperidin-4-yl]oxyphenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]carbamoyl]phenyl]propan-2-yl 2,2,2-trifluoroacetate
CID 139534473
2-[3-fluoro-4-[[5-fluoro-2-methyl-3-[6-[4-[1-(piperidin-4-ylmethyl)piperidin-4-yl]oxyphenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]carbamoyl]phenyl]propan-2-yl 2,2,2-trifluoroacetate
CID 139534519
2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-[(6-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]benzamide
CID 146555732
N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(6-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]benzamide
CID 146556288
3-[6-[4-[3-[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]propyl]piperazin-1-yl]-4-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155166736
3-[6-[4-[3-[1-[5-[(1R)-2-(2-fluoro-2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]propyl]piperazin-1-yl]-4-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155184443

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;2-N-tert-butyl-4-N-(3-methoxy-5-methylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(7-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;ethyl 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzoate?
The IUPAC name of 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;2-N-tert-butyl-4-N-(3-methoxy-5-methylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(7-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;ethyl 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzoate (CID 162098370) is 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;2-N-tert-butyl-4-N-(3-methoxy-5-methylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(7-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;ethyl 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzoate.
What is the SMILES notation for 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;2-N-tert-butyl-4-N-(3-methoxy-5-methylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(7-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;ethyl 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzoate?
The canonical SMILES for 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;2-N-tert-butyl-4-N-(3-methoxy-5-methylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(7-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;ethyl 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzoate is CCOC(=O)c1cccc(Nc2nc(NC(C)(C)C)ncc2C)c1C.COc1cc(C)cc(Nc2nc(NC(C)(C)C)ncc2C)c1.Cc1cccc(NC(=O)Nc2cccc(Nc3nc(NC(C)(C)C)ncc3C)c2)c1.Cc1cnc(NC(C)(C)C)nc1Nc1ccc(C)c2[nH]ccc12.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(F)(F)F)c1C.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(N)=O)c1C.
What is the InChIKey of 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;2-N-tert-butyl-4-N-(3-methoxy-5-methylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(7-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;ethyl 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzoate?
The InChIKey is ZENZBGCTMXTUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O.C19H26N4O2.C18H23N5.C17H21F3N4.C17H23N5O.C17H24N4O/c1-15-8-6-9-17(12-15)26-22(30)27-19-11-7-10-18(13-19)25-20-16(2)14-24-21(28-20)29-23(3,4)5;1-7-25-17(24)14-9-8-10-15(13(14)3)21-16-12(2)11-20-18(22-16)23-19(4,5)6;1-11-6-7-14(13-8-9-19-15(11)13)21-16-12(2)10-20-17(22-16)23-18(3,4)5;1-10-9-21-15(24-16(3,4)5)23-14(10)22-13-8-6-7-12(11(13)2)17(18,19)20;1-10-9-19-16(22-17(3,4)5)21-15(10)20-13-8-6-7-12(11(13)2)14(18)23;1-11-7-13(9-14(8-11)22-6)19-15-12(2)10-18-16(20-15)21-17(3,4)5/h6-14H,1-5H3,(H2,26,27,30)(H2,24,25,28,29);8-11H,7H2,1-6H3,(H2,20,21,22,23);6-10,19H,1-5H3,(H2,20,21,22,23);6-9H,1-5H3,(H2,21,22,23,24);6-9H,1-5H3,(H2,18,23)(H2,19,20,21,22);7-10H,1-6H3,(H2,18,19,20,21).
What are the key properties of 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;2-N-tert-butyl-4-N-(3-methoxy-5-methylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(7-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;ethyl 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzoate?
3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;2-N-tert-butyl-4-N-(3-methoxy-5-methylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(7-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;ethyl 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzoate has a molecular weight of 2008.57 g/mol, XLogP of 26.71, 24 rotatable bonds, 16 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;2-N-tert-butyl-4-N-(3-methoxy-5-methylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(7-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;ethyl 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzoate is sourced from PubChem (CID 162098370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).