6-[3-(benzenesulfonyl)-3H-inden-1-yl]-4-N-methylpyrimidine-2,4-diamine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine

C101H95Cl4F6N25O6S3 — CID 161429432

About 6-[3-(benzenesulfonyl)-3H-inden-1-yl]-4-N-methylpyrimidine-2,4-diamine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine

6-[3-(benzenesulfonyl)-3H-inden-1-yl]-4-N-methylpyrimidine-2,4-diamine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine (PubChem CID 161429432) has the molecular formula C101H95Cl4F6N25O6S3 and a molecular weight of 2107.04 g/mol. Its IUPAC name is 6-[3-(benzenesulfonyl)-3H-inden-1-yl]-4-N-methylpyrimidine-2,4-diamine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 6-[3-(benzenesulfonyl)-3H-inden-1-yl]-4-N-methylpyrimidine-2,4-diamine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine
• PubChem CID: 161429432
• Molecular Formula: C101H95Cl4F6N25O6S3
• Molecular Weight: 2107.04 g/mol
• Exact Mass: 2103.57
• IUPAC Name: 6-[3-(benzenesulfonyl)-3H-inden-1-yl]-4-N-methylpyrimidine-2,4-diamine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine
• SMILES: CC(C)(C)Cc1cc(-c2cccc(Cl)c2)nc(N)n1.CNc1cc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)nc(N)n1.CNc1cc(C2=CC(S(=O)(=O)c3ccccc3)c3ccccc32)nc(N)n1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(NC4CC4)nc(N)n3)c3ccccc32)cc1.Nc1nc(NCC(F)(F)F)cc(-c2cccc(Cl)c2)n1.Nc1nc(NCC(F)(F)F)cc(-c2cccc(Cl)c2Cl)n1
• InChI: InChI=1S/C22H21N5O2S.C20H19N5O2S.C20H18N4O2S.C15H18ClN3.C12H9Cl2F3N4.C12H10ClF3N4/c1-14-6-10-16(11-7-14)30(28,29)27-13-18(17-4-2-3-5-20(17)27)19-12-21(24-15-8-9-15)26-22(23)25-19;1-13-7-9-14(10-8-13)28(26,27)25-12-16(15-5-3-4-6-18(15)25)17-11-19(22-2)24-20(21)23-17;1-22-19-12-17(23-20(21)24-19)16-11-18(15-10-6-5-9-14(15)16)27(25,26)13-7-3-2-4-8-13;1-15(2,3)9-12-8-13(19-14(17)18-12)10-5-4-6-11(16)7-10;13-7-3-1-2-6(10(7)14)8-4-9(21-11(18)20-8)19-5-12(15,16)17;13-8-3-1-2-7(4-8)9-5-10(20-11(17)19-9)18-6-12(14,15)16/h2-7,10-13,15H,8-9H2,1H3,(H3,23,24,25,26);3-12H,1-2H3,(H3,21,22,23,24);2-12,18H,1H3,(H3,21,22,23,24);4-8H,9H2,1-3H3,(H2,17,18,19);1-4H,5H2,(H3,18,19,20,21);1-5H,6H2,(H3,17,18,19,20)
• InChIKey: VXUUNAXVRITIGQ-UHFFFAOYSA-N
• XLogP: 21.46
• TPSA: 483.23 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2107.04
LogP ≤ 5	21.46
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 6-[3-(benzenesulfonyl)-3H-inden-1-yl]-4-N-methylpyrimidine-2,4-diamine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?

The IUPAC name of 6-[3-(benzenesulfonyl)-3H-inden-1-yl]-4-N-methylpyrimidine-2,4-diamine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine (CID 161429432) is 6-[3-(benzenesulfonyl)-3H-inden-1-yl]-4-N-methylpyrimidine-2,4-diamine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine.

What is the SMILES notation for 6-[3-(benzenesulfonyl)-3H-inden-1-yl]-4-N-methylpyrimidine-2,4-diamine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?

The canonical SMILES for 6-[3-(benzenesulfonyl)-3H-inden-1-yl]-4-N-methylpyrimidine-2,4-diamine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine is CC(C)(C)Cc1cc(-c2cccc(Cl)c2)nc(N)n1.CNc1cc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)nc(N)n1.CNc1cc(C2=CC(S(=O)(=O)c3ccccc3)c3ccccc32)nc(N)n1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(NC4CC4)nc(N)n3)c3ccccc32)cc1.Nc1nc(NCC(F)(F)F)cc(-c2cccc(Cl)c2)n1.Nc1nc(NCC(F)(F)F)cc(-c2cccc(Cl)c2Cl)n1.

What is the InChIKey of 6-[3-(benzenesulfonyl)-3H-inden-1-yl]-4-N-methylpyrimidine-2,4-diamine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?

The InChIKey is VXUUNAXVRITIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S.C20H19N5O2S.C20H18N4O2S.C15H18ClN3.C12H9Cl2F3N4.C12H10ClF3N4/c1-14-6-10-16(11-7-14)30(28,29)27-13-18(17-4-2-3-5-20(17)27)19-12-21(24-15-8-9-15)26-22(23)25-19;1-13-7-9-14(10-8-13)28(26,27)25-12-16(15-5-3-4-6-18(15)25)17-11-19(22-2)24-20(21)23-17;1-22-19-12-17(23-20(21)24-19)16-11-18(15-10-6-5-9-14(15)16)27(25,26)13-7-3-2-4-8-13;1-15(2,3)9-12-8-13(19-14(17)18-12)10-5-4-6-11(16)7-10;13-7-3-1-2-6(10(7)14)8-4-9(21-11(18)20-8)19-5-12(15,16)17;13-8-3-1-2-7(4-8)9-5-10(20-11(17)19-9)18-6-12(14,15)16/h2-7,10-13,15H,8-9H2,1H3,(H3,23,24,25,26);3-12H,1-2H3,(H3,21,22,23,24);2-12,18H,1H3,(H3,21,22,23,24);4-8H,9H2,1-3H3,(H2,17,18,19);1-4H,5H2,(H3,18,19,20,21);1-5H,6H2,(H3,17,18,19,20).

What are the key properties of 6-[3-(benzenesulfonyl)-3H-inden-1-yl]-4-N-methylpyrimidine-2,4-diamine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?

6-[3-(benzenesulfonyl)-3H-inden-1-yl]-4-N-methylpyrimidine-2,4-diamine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine has a molecular weight of 2107.04 g/mol, XLogP of 21.46, 21 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(benzenesulfonyl)-3H-inden-1-yl]-4-N-methylpyrimidine-2,4-diamine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 161429432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).