3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;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-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;ethyl 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzoate

C110H147F3N28O7S — CID 159225214

IUPAC3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;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-[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)nc1Nc1cccc(C(F)(F)F)c1C.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(N)=O)c1C.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C23H28N6O.C19H26N4O2.C17H21F3N4.C17H25N5O2S.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;1-10-9-21-15(24-16(3,4)5)23-14(10)22-13-8-6-7-12(11(13)2)17(18,19)20;1-12-11-18-16(21-17(2,3)4)20-15(12)19-13-8-7-9-14(10-13)25(23,24)22(5)6;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);6-9H,1-5H3,(H2,21,22,23,24);7-11H,1-6H3,(H2,18,19,20,21);6-9H,1-5H3,(H2,18,23)(H2,19,20,21,22);7-10H,1-6H3,(H2,18,19,20,21)
InChIKeyKSEVAZQVANSGOS-UHFFFAOYSA-N
MW2062.64 g/mol
LogP25.17
Rot. Bonds26

About 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;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-[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]-N,N-dimethylbenzenesulfonamide;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-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;ethyl 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzoate (PubChem CID 159225214) has the molecular formula C110H147F3N28O7S and a molecular weight of 2062.64 g/mol. Its IUPAC name is 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;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-[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]-N,N-dimethylbenzenesulfonamide;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-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;ethyl 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzoate
PubChem CID159225214
Molecular FormulaC110H147F3N28O7S
Molecular Weight2062.64 g/mol
Exact Mass2061.17
IUPAC Name3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;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-[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)nc1Nc1cccc(C(F)(F)F)c1C.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(N)=O)c1C.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C23H28N6O.C19H26N4O2.C17H21F3N4.C17H25N5O2S.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;1-10-9-21-15(24-16(3,4)5)23-14(10)22-13-8-6-7-12(11(13)2)17(18,19)20;1-12-11-18-16(21-17(2,3)4)20-15(12)19-13-8-7-9-14(10-13)25(23,24)22(5)6;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);6-9H,1-5H3,(H2,21,22,23,24);7-11H,1-6H3,(H2,18,19,20,21);6-9H,1-5H3,(H2,18,23)(H2,19,20,21,22);7-10H,1-6H3,(H2,18,19,20,21)
InChIKeyKSEVAZQVANSGOS-UHFFFAOYSA-N
XLogP25.17
TPSA456.17 Ų
H-Bond Donors15
H-Bond Acceptors31
Rotatable Bonds26
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002062.64
LogP ≤ 525.17
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1031

Analyze 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;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-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;ethyl 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;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-[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]-N,N-dimethylbenzenesulfonamide;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-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;ethyl 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzoate (CID 159225214) is 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;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-[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]-N,N-dimethylbenzenesulfonamide;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-[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]-N,N-dimethylbenzenesulfonamide;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-[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)nc1Nc1cccc(C(F)(F)F)c1C.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(N)=O)c1C.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;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-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;ethyl 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzoate?
The InChIKey is KSEVAZQVANSGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O.C19H26N4O2.C17H21F3N4.C17H25N5O2S.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;1-10-9-21-15(24-16(3,4)5)23-14(10)22-13-8-6-7-12(11(13)2)17(18,19)20;1-12-11-18-16(21-17(2,3)4)20-15(12)19-13-8-7-9-14(10-13)25(23,24)22(5)6;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);6-9H,1-5H3,(H2,21,22,23,24);7-11H,1-6H3,(H2,18,19,20,21);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]-N,N-dimethylbenzenesulfonamide;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-[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]-N,N-dimethylbenzenesulfonamide;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-[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 2062.64 g/mol, XLogP of 25.17, 26 rotatable bonds, 15 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;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-[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 159225214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).