4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[3-[4-(trifluoromethyl)phenyl]sulfonylindol-1-yl]sulfonylpyrimidine-2,4-diamine

C118H132F3N23O8S4 — CID 157233463

About 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[3-[4-(trifluoromethyl)phenyl]sulfonylindol-1-yl]sulfonylpyrimidine-2,4-diamine

4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[3-[4-(trifluoromethyl)phenyl]sulfonylindol-1-yl]sulfonylpyrimidine-2,4-diamine (PubChem CID 157233463) has the molecular formula C118H132F3N23O8S4 and a molecular weight of 2185.77 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[3-[4-(trifluoromethyl)phenyl]sulfonylindol-1-yl]sulfonylpyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[3-[4-(trifluoromethyl)phenyl]sulfonylindol-1-yl]sulfonylpyrimidine-2,4-diamine
• PubChem CID: 157233463
• Molecular Formula: C118H132F3N23O8S4
• Molecular Weight: 2185.77 g/mol
• Exact Mass: 2183.95
• IUPAC Name: 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[3-[4-(trifluoromethyl)phenyl]sulfonylindol-1-yl]sulfonylpyrimidine-2,4-diamine
• SMILES: CCCc1cc(-c2cccc(C)c2C)nc(N)n1.CCNc1cc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)nc(N)n1.CNc1cc(S(=O)(=O)n2cc(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c3ccccc32)nc(N)n1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(CC4CCCCC4)nc(N)n3)c3ccccc32)cc1.Cc1cccc(-c2cc(CC(C)(C)C)nc(N)n2)c1C.Cc1cccc(-c2cc(CC3CCCCC3)nc(N)n2)c1C
• InChI: InChI=1S/C26H28N4O2S.C21H21N5O2S.C20H16F3N5O4S2.C19H25N3.C17H23N3.C15H19N3/c1-18-11-13-21(14-12-18)33(31,32)30-17-23(22-9-5-6-10-25(22)30)24-16-20(28-26(27)29-24)15-19-7-3-2-4-8-19;1-3-23-20-12-18(24-21(22)25-20)17-13-26(19-7-5-4-6-16(17)19)29(27,28)15-10-8-14(2)9-11-15;1-25-17-10-18(27-19(24)26-17)34(31,32)28-11-16(14-4-2-3-5-15(14)28)33(29,30)13-8-6-12(7-9-13)20(21,22)23;1-13-7-6-10-17(14(13)2)18-12-16(21-19(20)22-18)11-15-8-4-3-5-9-15;1-11-7-6-8-14(12(11)2)15-9-13(10-17(3,4)5)19-16(18)20-15;1-4-6-12-9-14(18-15(16)17-12)13-8-5-7-10(2)11(13)3/h5-6,9-14,16-17,19H,2-4,7-8,15H2,1H3,(H2,27,28,29);4-13H,3H2,1-2H3,(H3,22,23,24,25);2-11H,1H3,(H3,24,25,26,27);6-7,10,12,15H,3-5,8-9,11H2,1-2H3,(H2,20,21,22);6-9H,10H2,1-5H3,(H2,18,19,20);5,7-9H,4,6H2,1-3H3,(H2,16,17,18)
• InChIKey: AUJFKAXCLZUILW-UHFFFAOYSA-N
• XLogP: 23.84
• TPSA: 486.21 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 23
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2185.77
LogP ≤ 5	23.84
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[3-[4-(trifluoromethyl)phenyl]sulfonylindol-1-yl]sulfonylpyrimidine-2,4-diamine?

The IUPAC name of 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[3-[4-(trifluoromethyl)phenyl]sulfonylindol-1-yl]sulfonylpyrimidine-2,4-diamine (CID 157233463) is 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[3-[4-(trifluoromethyl)phenyl]sulfonylindol-1-yl]sulfonylpyrimidine-2,4-diamine.

What is the SMILES notation for 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[3-[4-(trifluoromethyl)phenyl]sulfonylindol-1-yl]sulfonylpyrimidine-2,4-diamine?

The canonical SMILES for 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[3-[4-(trifluoromethyl)phenyl]sulfonylindol-1-yl]sulfonylpyrimidine-2,4-diamine is CCCc1cc(-c2cccc(C)c2C)nc(N)n1.CCNc1cc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)nc(N)n1.CNc1cc(S(=O)(=O)n2cc(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c3ccccc32)nc(N)n1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(CC4CCCCC4)nc(N)n3)c3ccccc32)cc1.Cc1cccc(-c2cc(CC(C)(C)C)nc(N)n2)c1C.Cc1cccc(-c2cc(CC3CCCCC3)nc(N)n2)c1C.

What is the InChIKey of 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[3-[4-(trifluoromethyl)phenyl]sulfonylindol-1-yl]sulfonylpyrimidine-2,4-diamine?

The InChIKey is AUJFKAXCLZUILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2S.C21H21N5O2S.C20H16F3N5O4S2.C19H25N3.C17H23N3.C15H19N3/c1-18-11-13-21(14-12-18)33(31,32)30-17-23(22-9-5-6-10-25(22)30)24-16-20(28-26(27)29-24)15-19-7-3-2-4-8-19;1-3-23-20-12-18(24-21(22)25-20)17-13-26(19-7-5-4-6-16(17)19)29(27,28)15-10-8-14(2)9-11-15;1-25-17-10-18(27-19(24)26-17)34(31,32)28-11-16(14-4-2-3-5-15(14)28)33(29,30)13-8-6-12(7-9-13)20(21,22)23;1-13-7-6-10-17(14(13)2)18-12-16(21-19(20)22-18)11-15-8-4-3-5-9-15;1-11-7-6-8-14(12(11)2)15-9-13(10-17(3,4)5)19-16(18)20-15;1-4-6-12-9-14(18-15(16)17-12)13-8-5-7-10(2)11(13)3/h5-6,9-14,16-17,19H,2-4,7-8,15H2,1H3,(H2,27,28,29);4-13H,3H2,1-2H3,(H3,22,23,24,25);2-11H,1H3,(H3,24,25,26,27);6-7,10,12,15H,3-5,8-9,11H2,1-2H3,(H2,20,21,22);6-9H,10H2,1-5H3,(H2,18,19,20);5,7-9H,4,6H2,1-3H3,(H2,16,17,18).

What are the key properties of 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[3-[4-(trifluoromethyl)phenyl]sulfonylindol-1-yl]sulfonylpyrimidine-2,4-diamine?

4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[3-[4-(trifluoromethyl)phenyl]sulfonylindol-1-yl]sulfonylpyrimidine-2,4-diamine has a molecular weight of 2185.77 g/mol, XLogP of 23.84, 23 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclohexylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-propylpyrimidin-2-amine;4-N-ethyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[3-[4-(trifluoromethyl)phenyl]sulfonylindol-1-yl]sulfonylpyrimidine-2,4-diamine is sourced from PubChem (CID 157233463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).