N-tert-butyl-3-[[5-methyl-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-propylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;methane

C136H180F3N29O10S5 — CID 159460733

About N-tert-butyl-3-[[5-methyl-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-propylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;methane

N-tert-butyl-3-[[5-methyl-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-propylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;methane (PubChem CID 159460733) has the molecular formula C136H180F3N29O10S5 and a molecular weight of 2598.46 g/mol. Its IUPAC name is N-tert-butyl-3-[[5-methyl-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-propylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;methane.

Molecular Properties

• Compound Name: N-tert-butyl-3-[[5-methyl-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-propylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;methane
• PubChem CID: 159460733
• Molecular Formula: C136H180F3N29O10S5
• Molecular Weight: 2598.46 g/mol
• Exact Mass: 2596.30
• IUPAC Name: N-tert-butyl-3-[[5-methyl-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-propylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;methane
• SMILES: C.CCCN1CCN(c2ccc(Nc3ncc(C)c(Nc4cccc(S(=O)(=O)NC(C)(C)C)c4)n3)cc2)CC1.Cc1cnc(Nc2ccc(N3CCCCC3)c(C(F)(F)F)c2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.Cc1cnc(Nc2ccc(N3CCCCC3)cc2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.Cc1cnc(Nc2ccc(N3CCCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2cccc(N3CCCCC3)c2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1
• InChI: InChI=1S/C28H34F3N5O2S.C28H39N7O2S.C27H35N5O2S.2C26H34N6O2S.CH4/c1-19-17-32-26(34-21-11-12-24(23(16-21)28(29,30)31)36-13-6-5-7-14-36)35-25(19)33-20-9-8-10-22(15-20)39(37,38)18-27(2,3)4;1-6-14-34-15-17-35(18-16-34)24-12-10-22(11-13-24)31-27-29-20-21(2)26(32-27)30-23-8-7-9-25(19-23)38(36,37)33-28(3,4)5;1-20-18-28-26(30-21-11-13-23(14-12-21)32-15-6-5-7-16-32)31-25(20)29-22-9-8-10-24(17-22)35(33,34)19-27(2,3)4;1-19-18-27-25(29-20-10-8-12-22(16-20)32-14-6-5-7-15-32)30-24(19)28-21-11-9-13-23(17-21)35(33,34)31-26(2,3)4;1-19-18-27-25(29-20-11-13-22(14-12-20)32-15-6-5-7-16-32)30-24(19)28-21-9-8-10-23(17-21)35(33,34)31-26(2,3)4;/h8-12,15-17H,5-7,13-14,18H2,1-4H3,(H2,32,33,34,35);7-13,19-20,33H,6,14-18H2,1-5H3,(H2,29,30,31,32);8-14,17-18H,5-7,15-16,19H2,1-4H3,(H2,28,29,30,31);8-13,16-18,31H,5-7,14-15H2,1-4H3,(H2,27,28,29,30);8-14,17-18,31H,5-7,15-16H2,1-4H3,(H2,27,28,29,30);1H4
• InChIKey: LUOGPWDNECHIMP-UHFFFAOYSA-N
• XLogP: 29.38
• TPSA: 475.43 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 36
• Rotatable Bonds: 37
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2598.46
LogP ≤ 5	29.38
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[5-methyl-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-propylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;methane?

The IUPAC name of N-tert-butyl-3-[[5-methyl-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-propylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;methane (CID 159460733) is N-tert-butyl-3-[[5-methyl-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-propylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;methane.

What is the SMILES notation for N-tert-butyl-3-[[5-methyl-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-propylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;methane?

The canonical SMILES for N-tert-butyl-3-[[5-methyl-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-propylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;methane is C.CCCN1CCN(c2ccc(Nc3ncc(C)c(Nc4cccc(S(=O)(=O)NC(C)(C)C)c4)n3)cc2)CC1.Cc1cnc(Nc2ccc(N3CCCCC3)c(C(F)(F)F)c2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.Cc1cnc(Nc2ccc(N3CCCCC3)cc2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.Cc1cnc(Nc2ccc(N3CCCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2cccc(N3CCCCC3)c2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.

What is the InChIKey of N-tert-butyl-3-[[5-methyl-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-propylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;methane?

The InChIKey is LUOGPWDNECHIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F3N5O2S.C28H39N7O2S.C27H35N5O2S.2C26H34N6O2S.CH4/c1-19-17-32-26(34-21-11-12-24(23(16-21)28(29,30)31)36-13-6-5-7-14-36)35-25(19)33-20-9-8-10-22(15-20)39(37,38)18-27(2,3)4;1-6-14-34-15-17-35(18-16-34)24-12-10-22(11-13-24)31-27-29-20-21(2)26(32-27)30-23-8-7-9-25(19-23)38(36,37)33-28(3,4)5;1-20-18-28-26(30-21-11-13-23(14-12-21)32-15-6-5-7-16-32)31-25(20)29-22-9-8-10-24(17-22)35(33,34)19-27(2,3)4;1-19-18-27-25(29-20-10-8-12-22(16-20)32-14-6-5-7-15-32)30-24(19)28-21-11-9-13-23(17-21)35(33,34)31-26(2,3)4;1-19-18-27-25(29-20-11-13-22(14-12-20)32-15-6-5-7-16-32)30-24(19)28-21-9-8-10-23(17-21)35(33,34)31-26(2,3)4;/h8-12,15-17H,5-7,13-14,18H2,1-4H3,(H2,32,33,34,35);7-13,19-20,33H,6,14-18H2,1-5H3,(H2,29,30,31,32);8-14,17-18H,5-7,15-16,19H2,1-4H3,(H2,28,29,30,31);8-13,16-18,31H,5-7,14-15H2,1-4H3,(H2,27,28,29,30);8-14,17-18,31H,5-7,15-16H2,1-4H3,(H2,27,28,29,30);1H4.

What are the key properties of N-tert-butyl-3-[[5-methyl-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-propylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;methane?

N-tert-butyl-3-[[5-methyl-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-propylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;methane has a molecular weight of 2598.46 g/mol, XLogP of 29.38, 37 rotatable bonds, 13 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-3-[[5-methyl-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-propylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;methane is sourced from PubChem (CID 159460733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).