6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;bis(6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine);6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine

C100H91N25O10S5 — CID 159643419

About 6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;bis(6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine);6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine

6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;bis(6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine);6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine (PubChem CID 159643419) has the molecular formula C100H91N25O10S5 and a molecular weight of 1963.33 g/mol. Its IUPAC name is 6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;bis(6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine);6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;bis(6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine);6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine
• PubChem CID: 159643419
• Molecular Formula: C100H91N25O10S5
• Molecular Weight: 1963.33 g/mol
• Exact Mass: 1961.60
• IUPAC Name: 6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;bis(6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine);6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine
• SMILES: CNc1cc(-c2cccc3c2ccn3S(=O)(=O)c2ccccc2)nc(N)n1.CNc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)nc(N)n1.CNc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)nc(N)n1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(NC4CC4)nc(N)n3)c3ccccc32)cc1.Nc1nc(NC2CC2)cc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)n1
• InChI: InChI=1S/C22H21N5O2S.C21H19N5O2S.3C19H17N5O2S/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;22-21-24-18(12-20(25-21)23-14-10-11-14)17-13-26(19-9-5-4-8-16(17)19)29(27,28)15-6-2-1-3-7-15;2*1-21-18-11-16(22-19(20)23-18)15-12-24(17-10-6-5-9-14(15)17)27(25,26)13-7-3-2-4-8-13;1-21-18-12-16(22-19(20)23-18)14-8-5-9-17-15(14)10-11-24(17)27(25,26)13-6-3-2-4-7-13/h2-7,10-13,15H,8-9H2,1H3,(H3,23,24,25,26);1-9,12-14H,10-11H2,(H3,22,23,24,25);3*2-12H,1H3,(H3,20,21,22,23)
• InChIKey: MQQOGLVYPNRVMQ-UHFFFAOYSA-N
• XLogP: 16.17
• TPSA: 514.50 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 22
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1963.33
LogP ≤ 5	16.17
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;bis(6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine);6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?

The IUPAC name of 6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;bis(6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine);6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine (CID 159643419) is 6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;bis(6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine);6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine.

What is the SMILES notation for 6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;bis(6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine);6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?

The canonical SMILES for 6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;bis(6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine);6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine is CNc1cc(-c2cccc3c2ccn3S(=O)(=O)c2ccccc2)nc(N)n1.CNc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)nc(N)n1.CNc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)nc(N)n1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(NC4CC4)nc(N)n3)c3ccccc32)cc1.Nc1nc(NC2CC2)cc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)n1.

What is the InChIKey of 6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;bis(6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine);6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?

The InChIKey is MQQOGLVYPNRVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S.C21H19N5O2S.3C19H17N5O2S/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;22-21-24-18(12-20(25-21)23-14-10-11-14)17-13-26(19-9-5-4-8-16(17)19)29(27,28)15-6-2-1-3-7-15;2*1-21-18-11-16(22-19(20)23-18)15-12-24(17-10-6-5-9-14(15)17)27(25,26)13-7-3-2-4-8-13;1-21-18-12-16(22-19(20)23-18)14-8-5-9-17-15(14)10-11-24(17)27(25,26)13-6-3-2-4-7-13/h2-7,10-13,15H,8-9H2,1H3,(H3,23,24,25,26);1-9,12-14H,10-11H2,(H3,22,23,24,25);3*2-12H,1H3,(H3,20,21,22,23).

What are the key properties of 6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;bis(6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine);6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?

6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;bis(6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine);6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine has a molecular weight of 1963.33 g/mol, XLogP of 16.17, 22 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;bis(6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine);6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 159643419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).