4-N-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)pyrimidin-2-amine;6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine

C119H136N24O6S3 — CID 159992351

About 4-N-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)pyrimidin-2-amine;6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine

4-N-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)pyrimidin-2-amine;6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 159992351) has the molecular formula C119H136N24O6S3 and a molecular weight of 2094.76 g/mol. Its IUPAC name is 4-N-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)pyrimidin-2-amine;6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)pyrimidin-2-amine;6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine
• PubChem CID: 159992351
• Molecular Formula: C119H136N24O6S3
• Molecular Weight: 2094.76 g/mol
• Exact Mass: 2093.02
• IUPAC Name: 4-N-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)pyrimidin-2-amine;6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine
• SMILES: Cc1ccc(S(=O)(=O)n2cc(-c3cc(NC(C)(C)C)nc(N)n3)c3ccccc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(NC(C)C)nc(N)n3)c3ccccc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(NCC4CC4)nc(N)n3)c3ccccc32)cc1.Cc1cccc(-c2cc(CC(C)C)nc(N)n2)c1C.Cc1cccc(-c2cc(CCC3CC3)nc(N)n2)c1C.Cc1cccc(-c2cc(C[C@H](C)C3CC3)nc(N)n2)c1C
• InChI: InChI=1S/C23H23N5O2S.C23H25N5O2S.C22H23N5O2S.C18H23N3.C17H21N3.C16H21N3/c1-15-6-10-17(11-7-15)31(29,30)28-14-19(18-4-2-3-5-21(18)28)20-12-22(27-23(24)26-20)25-13-16-8-9-16;1-15-9-11-16(12-10-15)31(29,30)28-14-18(17-7-5-6-8-20(17)28)19-13-21(26-22(24)25-19)27-23(2,3)4;1-14(2)24-21-12-19(25-22(23)26-21)18-13-27(20-7-5-4-6-17(18)20)30(28,29)16-10-8-15(3)9-11-16;1-11-5-4-6-16(13(11)3)17-10-15(20-18(19)21-17)9-12(2)14-7-8-14;1-11-4-3-5-15(12(11)2)16-10-14(19-17(18)20-16)9-8-13-6-7-13;1-10(2)8-13-9-15(19-16(17)18-13)14-7-5-6-11(3)12(14)4/h2-7,10-12,14,16H,8-9,13H2,1H3,(H3,24,25,26,27);5-14H,1-4H3,(H3,24,25,26,27);4-14H,1-3H3,(H3,23,24,25,26);4-6,10,12,14H,7-9H2,1-3H3,(H2,19,20,21);3-5,10,13H,6-9H2,1-2H3,(H2,18,19,20);5-7,9-10H,8H2,1-4H3,(H2,17,18,19)/t;;;12-;;/m...0../s1
• InChIKey: OHCKWHIYXXXNPH-GETZRCFYSA-N
• XLogP: 23.69
• TPSA: 464.10 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 26
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2094.76
LogP ≤ 5	23.69
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)pyrimidin-2-amine;6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine?

The IUPAC name of 4-N-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)pyrimidin-2-amine;6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 159992351) is 4-N-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)pyrimidin-2-amine;6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine.

What is the SMILES notation for 4-N-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)pyrimidin-2-amine;6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine?

The canonical SMILES for 4-N-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)pyrimidin-2-amine;6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine is Cc1ccc(S(=O)(=O)n2cc(-c3cc(NC(C)(C)C)nc(N)n3)c3ccccc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(NC(C)C)nc(N)n3)c3ccccc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(NCC4CC4)nc(N)n3)c3ccccc32)cc1.Cc1cccc(-c2cc(CC(C)C)nc(N)n2)c1C.Cc1cccc(-c2cc(CCC3CC3)nc(N)n2)c1C.Cc1cccc(-c2cc(C[C@H](C)C3CC3)nc(N)n2)c1C.

What is the InChIKey of 4-N-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)pyrimidin-2-amine;6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine?

The InChIKey is OHCKWHIYXXXNPH-GETZRCFYSA-N. The full InChI is InChI=1S/C23H23N5O2S.C23H25N5O2S.C22H23N5O2S.C18H23N3.C17H21N3.C16H21N3/c1-15-6-10-17(11-7-15)31(29,30)28-14-19(18-4-2-3-5-21(18)28)20-12-22(27-23(24)26-20)25-13-16-8-9-16;1-15-9-11-16(12-10-15)31(29,30)28-14-18(17-7-5-6-8-20(17)28)19-13-21(26-22(24)25-19)27-23(2,3)4;1-14(2)24-21-12-19(25-22(23)26-21)18-13-27(20-7-5-4-6-17(18)20)30(28,29)16-10-8-15(3)9-11-16;1-11-5-4-6-16(13(11)3)17-10-15(20-18(19)21-17)9-12(2)14-7-8-14;1-11-4-3-5-15(12(11)2)16-10-14(19-17(18)20-16)9-8-13-6-7-13;1-10(2)8-13-9-15(19-16(17)18-13)14-7-5-6-11(3)12(14)4/h2-7,10-12,14,16H,8-9,13H2,1H3,(H3,24,25,26,27);5-14H,1-4H3,(H3,24,25,26,27);4-14H,1-3H3,(H3,23,24,25,26);4-6,10,12,14H,7-9H2,1-3H3,(H2,19,20,21);3-5,10,13H,6-9H2,1-2H3,(H2,18,19,20);5-7,9-10H,8H2,1-4H3,(H2,17,18,19)/t;;;12-;;/m...0../s1.

What are the key properties of 4-N-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)pyrimidin-2-amine;6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine?

4-N-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)pyrimidin-2-amine;6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 2094.76 g/mol, XLogP of 23.69, 26 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)pyrimidin-2-amine;6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 159992351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).