4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;4-N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane

C163H211N31O8S3 — CID 159459416

About 4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;4-N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane

4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;4-N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane (PubChem CID 159459416) has the molecular formula C163H211N31O8S3 and a molecular weight of 2828.89 g/mol. Its IUPAC name is 4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;4-N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane.

Molecular Properties

• Compound Name: 4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;4-N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane
• PubChem CID: 159459416
• Molecular Formula: C163H211N31O8S3
• Molecular Weight: 2828.89 g/mol
• Exact Mass: 2826.62
• IUPAC Name: 4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;4-N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane
• SMILES: C.C.C.C.CCS(=O)(=O)c1cc(Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C)ccc1C.Cc1ccc(Nc2nc(Nc3ccc(-n4ccnc4)cc3)ncc2C)cc1S(=O)(=O)CC(C)(C)C.Cc1cn(-c2ccc(Nc3ncc(C)c(Nc4cccc(C(C)(C)C)c4)n3)cc2)cn1.Cc1cnc(Nc2ccc(C(=O)N3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.Cc1cnc(Nc2ccc(C(C)N3CCCCC3)cc2)nc1Nc1cccc(C(C)(C)C)c1.Cc1cnc(Nc2ccc(C3CCCCC3)cc2)nc1Nc1cccc(C(C)(C)C)c1
• InChI: InChI=1S/C28H37N5.C27H33N5O3S.C27H34N4.C26H30N6O2S.C26H33N5O3S.C25H28N6.4CH4/c1-20-19-29-27(32-26(20)30-25-11-9-10-23(18-25)28(3,4)5)31-24-14-12-22(13-15-24)21(2)33-16-7-6-8-17-33;1-19-17-28-26(30-21-12-10-20(11-13-21)25(33)32-14-5-6-15-32)31-24(19)29-22-8-7-9-23(16-22)36(34,35)18-27(2,3)4;1-19-18-28-26(30-23-15-13-21(14-16-23)20-9-6-5-7-10-20)31-25(19)29-24-12-8-11-22(17-24)27(2,3)4;1-18-6-7-21(14-23(18)35(33,34)16-26(3,4)5)29-24-19(2)15-28-25(31-24)30-20-8-10-22(11-9-20)32-13-12-27-17-32;1-4-35(32,33)24-17-22(8-7-19(24)2)28-25-20(3)18-27-26(30-25)29-21-9-11-23(12-10-21)34-16-15-31-13-5-6-14-31;1-17-14-26-24(29-20-9-11-22(12-10-20)31-15-18(2)27-16-31)30-23(17)28-21-8-6-7-19(13-21)25(3,4)5;;;;/h9-15,18-19,21H,6-8,16-17H2,1-5H3,(H2,29,30,31,32);7-13,16-17H,5-6,14-15,18H2,1-4H3,(H2,28,29,30,31);8,11-18,20H,5-7,9-10H2,1-4H3,(H2,28,29,30,31);6-15,17H,16H2,1-5H3,(H2,28,29,30,31);7-12,17-18H,4-6,13-16H2,1-3H3,(H2,27,28,29,30);6-16H,1-5H3,(H2,26,28,29,30);4*1H4
• InChIKey: LUJZLYRJQDCNHW-UHFFFAOYSA-N
• XLogP: 39.11
• TPSA: 473.12 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 38
• Rotatable Bonds: 40
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2828.89
LogP ≤ 5	39.11
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;4-N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane?

The IUPAC name of 4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;4-N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane (CID 159459416) is 4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;4-N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane.

What is the SMILES notation for 4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;4-N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane?

The canonical SMILES for 4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;4-N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane is C.C.C.C.CCS(=O)(=O)c1cc(Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C)ccc1C.Cc1ccc(Nc2nc(Nc3ccc(-n4ccnc4)cc3)ncc2C)cc1S(=O)(=O)CC(C)(C)C.Cc1cn(-c2ccc(Nc3ncc(C)c(Nc4cccc(C(C)(C)C)c4)n3)cc2)cn1.Cc1cnc(Nc2ccc(C(=O)N3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.Cc1cnc(Nc2ccc(C(C)N3CCCCC3)cc2)nc1Nc1cccc(C(C)(C)C)c1.Cc1cnc(Nc2ccc(C3CCCCC3)cc2)nc1Nc1cccc(C(C)(C)C)c1.

What is the InChIKey of 4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;4-N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane?

The InChIKey is LUJZLYRJQDCNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5.C27H33N5O3S.C27H34N4.C26H30N6O2S.C26H33N5O3S.C25H28N6.4CH4/c1-20-19-29-27(32-26(20)30-25-11-9-10-23(18-25)28(3,4)5)31-24-14-12-22(13-15-24)21(2)33-16-7-6-8-17-33;1-19-17-28-26(30-21-12-10-20(11-13-21)25(33)32-14-5-6-15-32)31-24(19)29-22-8-7-9-23(16-22)36(34,35)18-27(2,3)4;1-19-18-28-26(30-23-15-13-21(14-16-23)20-9-6-5-7-10-20)31-25(19)29-24-12-8-11-22(17-24)27(2,3)4;1-18-6-7-21(14-23(18)35(33,34)16-26(3,4)5)29-24-19(2)15-28-25(31-24)30-20-8-10-22(11-9-20)32-13-12-27-17-32;1-4-35(32,33)24-17-22(8-7-19(24)2)28-25-20(3)18-27-26(30-25)29-21-9-11-23(12-10-21)34-16-15-31-13-5-6-14-31;1-17-14-26-24(29-20-9-11-22(12-10-20)31-15-18(2)27-16-31)30-23(17)28-21-8-6-7-19(13-21)25(3,4)5;;;;/h9-15,18-19,21H,6-8,16-17H2,1-5H3,(H2,29,30,31,32);7-13,16-17H,5-6,14-15,18H2,1-4H3,(H2,28,29,30,31);8,11-18,20H,5-7,9-10H2,1-4H3,(H2,28,29,30,31);6-15,17H,16H2,1-5H3,(H2,28,29,30,31);7-12,17-18H,4-6,13-16H2,1-3H3,(H2,27,28,29,30);6-16H,1-5H3,(H2,26,28,29,30);4*1H4.

What are the key properties of 4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;4-N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane?

4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;4-N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane has a molecular weight of 2828.89 g/mol, XLogP of 39.11, 40 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(3-tert-butylphenyl)-2-N-(4-cyclohexylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-piperidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine;[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;4-N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(3-ethylsulfonyl-4-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;methane is sourced from PubChem (CID 159459416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).