4-N-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)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

C92H109N19O4S2 — CID 158705559

IUPAC4-N-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)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
SMILESCCCc1cc(-c2cccc(C)c2C)nc(N)n1.CCNc1cc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)nc(N)n1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(NC(C)(C)C)nc(N)n3)c3ccccc32)cc1.Cc1cccc(-c2cc(CC(C)(C)C)nc(N)n2)c1C.Cc1cccc(-c2cc(CC(C)C)nc(N)n2)c1C
InChIInChI=1S/C23H25N5O2S.C21H21N5O2S.C17H23N3.C16H21N3.C15H19N3/c1-15-9-11-16(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;1-3-23-20-12-18(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;1-11-7-6-8-14(12(11)2)15-9-13(10-17(3,4)5)19-16(18)20-15;1-10(2)8-13-9-15(19-16(17)18-13)14-7-5-6-11(3)12(14)4;1-4-6-12-9-14(18-15(16)17-12)13-8-5-7-10(2)11(13)3/h5-14H,1-4H3,(H3,24,25,26,27);4-13H,3H2,1-2H3,(H3,22,23,24,25);6-9H,10H2,1-5H3,(H2,18,19,20);5-7,9-10H,8H2,1-4H3,(H2,17,18,19);5,7-9H,4,6H2,1-3H3,(H2,16,17,18)
InChIKeyIIBKLQXTNJHGRM-UHFFFAOYSA-N
MW1609.15 g/mol
LogP18.86
Rot. Bonds17

About 4-N-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)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-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)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 (PubChem CID 158705559) has the molecular formula C92H109N19O4S2 and a molecular weight of 1609.15 g/mol. Its IUPAC name is 4-N-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)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.

Molecular Properties

Compound Name4-N-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)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
PubChem CID158705559
Molecular FormulaC92H109N19O4S2
Molecular Weight1609.15 g/mol
Exact Mass1607.84
IUPAC Name4-N-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)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
SMILESCCCc1cc(-c2cccc(C)c2C)nc(N)n1.CCNc1cc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)nc(N)n1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(NC(C)(C)C)nc(N)n3)c3ccccc32)cc1.Cc1cccc(-c2cc(CC(C)(C)C)nc(N)n2)c1C.Cc1cccc(-c2cc(CC(C)C)nc(N)n2)c1C
InChIInChI=1S/C23H25N5O2S.C21H21N5O2S.C17H23N3.C16H21N3.C15H19N3/c1-15-9-11-16(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;1-3-23-20-12-18(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;1-11-7-6-8-14(12(11)2)15-9-13(10-17(3,4)5)19-16(18)20-15;1-10(2)8-13-9-15(19-16(17)18-13)14-7-5-6-11(3)12(14)4;1-4-6-12-9-14(18-15(16)17-12)13-8-5-7-10(2)11(13)3/h5-14H,1-4H3,(H3,24,25,26,27);4-13H,3H2,1-2H3,(H3,22,23,24,25);6-9H,10H2,1-5H3,(H2,18,19,20);5-7,9-10H,8H2,1-4H3,(H2,17,18,19);5,7-9H,4,6H2,1-3H3,(H2,16,17,18)
InChIKeyIIBKLQXTNJHGRM-UHFFFAOYSA-N
XLogP18.86
TPSA361.20 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds17
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001609.15
LogP ≤ 518.86
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Analyze 4-N-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-methylindol-7-yl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide
CID 89614037
2-fluoro-4-methyl-N-[4-[[6-[1-[(1-methylpiperidin-4-yl)methyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 69134750
2-fluoro-4-methyl-N-[4-[[6-[1-[2-(1-methylpiperidin-4-yl)ethyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 69134927
N-(2-bicyclo[2.2.2]octanyl)-2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-6-pyridin-3-ylpyrimidin-4-amine
CID 134263791
N-[[3-(8-fluoro-4-pyridin-3-ylquinolin-6-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methyl]-1-phenylmethanamine
CID 135145706
4-N-[(1S,3R)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]quinazoline-2,4-diamine
CID 140961510
cis-(1R,3S)-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]-3-N-(2-methylpyrimidin-4-yl)cyclohexane-1,3-diamine
CID 140961511
4-(cyclobutylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclobutyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclopentylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclopentyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[1-[4-(trifluoromethyl)phenyl]sulfonylindol-3-yl]sulfonylpyrimidine-2,4-diamine
CID 157119075
N-[[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]methyl]-1,1-diphenylmethanimine;3,3,3-trifluoro-1-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]propan-1-amine;hydrochloride
CID 157148453
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
1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyridin-3-ylindole;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline
CID 157590009
4-(cyclobutylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclobutyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(cyclopentylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclopentyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[1-[4-(trifluoromethyl)phenyl]sulfonylindol-3-yl]pyrimidine-2,4-diamine
CID 158066726

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-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)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?
The IUPAC name of 4-N-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)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 (CID 158705559) is 4-N-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)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.
What is the SMILES notation for 4-N-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)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?
The canonical SMILES for 4-N-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)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 is CCCc1cc(-c2cccc(C)c2C)nc(N)n1.CCNc1cc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)nc(N)n1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(NC(C)(C)C)nc(N)n3)c3ccccc32)cc1.Cc1cccc(-c2cc(CC(C)(C)C)nc(N)n2)c1C.Cc1cccc(-c2cc(CC(C)C)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-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)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?
The InChIKey is IIBKLQXTNJHGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S.C21H21N5O2S.C17H23N3.C16H21N3.C15H19N3/c1-15-9-11-16(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;1-3-23-20-12-18(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;1-11-7-6-8-14(12(11)2)15-9-13(10-17(3,4)5)19-16(18)20-15;1-10(2)8-13-9-15(19-16(17)18-13)14-7-5-6-11(3)12(14)4;1-4-6-12-9-14(18-15(16)17-12)13-8-5-7-10(2)11(13)3/h5-14H,1-4H3,(H3,24,25,26,27);4-13H,3H2,1-2H3,(H3,22,23,24,25);6-9H,10H2,1-5H3,(H2,18,19,20);5-7,9-10H,8H2,1-4H3,(H2,17,18,19);5,7-9H,4,6H2,1-3H3,(H2,16,17,18).
What are the key properties of 4-N-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)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-tert-butyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)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 has a molecular weight of 1609.15 g/mol, XLogP of 18.86, 17 rotatable bonds, 7 hydrogen bond donors, and 23 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-(2,3-dimethylphenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(2-methylpropyl)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 is sourced from PubChem (CID 158705559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).