5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,2-dimethylbenzenesulfonamide;N-tert-butyl-5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzenesulfonamide;2-N-tert-butyl-4-N-(7-fluoro-1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indazol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-5-yl)-5-methylpyrimidine-2,4-diamine;methane

C88H121FN26O4S2 — CID 157408427

IUPAC5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,2-dimethylbenzenesulfonamide;N-tert-butyl-5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzenesulfonamide;2-N-tert-butyl-4-N-(7-fluoro-1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indazol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-5-yl)-5-methylpyrimidine-2,4-diamine;methane
SMILESC.CNS(=O)(=O)c1cc(Nc2nc(NC(C)(C)C)ncc2C)ccc1C.Cc1ccc(Nc2nc(NC(C)(C)C)ncc2C)cc1S(=O)(=O)NC(C)(C)C.Cc1cnc(NC(C)(C)C)nc1Nc1ccc(F)c2[nH]ccc12.Cc1cnc(NC(C)(C)C)nc1Nc1ccc2[nH]ccc2c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc2[nH]ncc12
InChIInChI=1S/C20H31N5O2S.C17H20FN5.C17H25N5O2S.C17H21N5.C16H20N6.CH4/c1-13-9-10-15(11-16(13)28(26,27)25-20(6,7)8)22-17-14(2)12-21-18(23-17)24-19(3,4)5;1-10-9-20-16(23-17(2,3)4)22-15(10)21-13-6-5-12(18)14-11(13)7-8-19-14;1-11-7-8-13(9-14(11)25(23,24)18-6)20-15-12(2)10-19-16(21-15)22-17(3,4)5;1-11-10-19-16(22-17(2,3)4)21-15(11)20-13-5-6-14-12(9-13)7-8-18-14;1-10-8-17-15(21-16(2,3)4)20-14(10)19-12-6-5-7-13-11(12)9-18-22-13;/h9-12,25H,1-8H3,(H2,21,22,23,24);5-9,19H,1-4H3,(H2,20,21,22,23);7-10,18H,1-6H3,(H2,19,20,21,22);5-10,18H,1-4H3,(H2,19,20,21,22);5-9H,1-4H3,(H,18,22)(H2,17,19,20,21);1H4
InChIKeyBNZOGPHRJAHYMQ-UHFFFAOYSA-N
MW1690.25 g/mol
LogP19.91
Rot. Bonds19

About 5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,2-dimethylbenzenesulfonamide;N-tert-butyl-5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzenesulfonamide;2-N-tert-butyl-4-N-(7-fluoro-1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indazol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-5-yl)-5-methylpyrimidine-2,4-diamine;methane

5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,2-dimethylbenzenesulfonamide;N-tert-butyl-5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzenesulfonamide;2-N-tert-butyl-4-N-(7-fluoro-1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indazol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-5-yl)-5-methylpyrimidine-2,4-diamine;methane (PubChem CID 157408427) has the molecular formula C88H121FN26O4S2 and a molecular weight of 1690.25 g/mol. Its IUPAC name is 5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,2-dimethylbenzenesulfonamide;N-tert-butyl-5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzenesulfonamide;2-N-tert-butyl-4-N-(7-fluoro-1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indazol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-5-yl)-5-methylpyrimidine-2,4-diamine;methane.

Molecular Properties

Compound Name5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,2-dimethylbenzenesulfonamide;N-tert-butyl-5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzenesulfonamide;2-N-tert-butyl-4-N-(7-fluoro-1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indazol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-5-yl)-5-methylpyrimidine-2,4-diamine;methane
PubChem CID157408427
Molecular FormulaC88H121FN26O4S2
Molecular Weight1690.25 g/mol
Exact Mass1688.95
IUPAC Name5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,2-dimethylbenzenesulfonamide;N-tert-butyl-5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzenesulfonamide;2-N-tert-butyl-4-N-(7-fluoro-1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indazol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-5-yl)-5-methylpyrimidine-2,4-diamine;methane
SMILESC.CNS(=O)(=O)c1cc(Nc2nc(NC(C)(C)C)ncc2C)ccc1C.Cc1ccc(Nc2nc(NC(C)(C)C)ncc2C)cc1S(=O)(=O)NC(C)(C)C.Cc1cnc(NC(C)(C)C)nc1Nc1ccc(F)c2[nH]ccc12.Cc1cnc(NC(C)(C)C)nc1Nc1ccc2[nH]ccc2c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc2[nH]ncc12
InChIInChI=1S/C20H31N5O2S.C17H20FN5.C17H25N5O2S.C17H21N5.C16H20N6.CH4/c1-13-9-10-15(11-16(13)28(26,27)25-20(6,7)8)22-17-14(2)12-21-18(23-17)24-19(3,4)5;1-10-9-20-16(23-17(2,3)4)22-15(10)21-13-6-5-12(18)14-11(13)7-8-19-14;1-11-7-8-13(9-14(11)25(23,24)18-6)20-15-12(2)10-19-16(21-15)22-17(3,4)5;1-11-10-19-16(22-17(2,3)4)21-15(11)20-13-5-6-14-12(9-13)7-8-18-14;1-10-8-17-15(21-16(2,3)4)20-14(10)19-12-6-5-7-13-11(12)9-18-22-13;/h9-12,25H,1-8H3,(H2,21,22,23,24);5-9,19H,1-4H3,(H2,20,21,22,23);7-10,18H,1-6H3,(H2,19,20,21,22);5-10,18H,1-4H3,(H2,19,20,21,22);5-9H,1-4H3,(H,18,22)(H2,17,19,20,21);1H4
InChIKeyBNZOGPHRJAHYMQ-UHFFFAOYSA-N
XLogP19.91
TPSA401.80 Ų
H-Bond Donors15
H-Bond Acceptors25
Rotatable Bonds19
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001690.25
LogP ≤ 519.91
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1025

Analyze 5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,2-dimethylbenzenesulfonamide;N-tert-butyl-5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzenesulfonamide;2-N-tert-butyl-4-N-(7-fluoro-1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indazol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-5-yl)-5-methylpyrimidine-2,4-diamine;methane with MolForge

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Launch Full Analysis

Related Compounds

N~2~-(1,1-Dioxido-2,3-Dihydro-1,2-Benzothiazol-6-Yl)-5-Fluoro-N~4~-(1h-Indazol-4-Yl)-N~4~-Methylpyrimidine-2,4-Diamine
CID 15979351
4-N-(3-aminopropyl)-2-N-(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-yl)-4-N-(1H-indazol-4-yl)pyrimidine-2,4-diamine
CID 24751586
N~2~-(1,1-Dioxido-2,3-Dihydro-1,2-Benzothiazol-6-Yl)-N~4~-Ethyl-5-Fluoro-N~4~-(1h-Indazol-4-Yl)pyrimidine-2,4-Diamine
CID 15979347
2-N-(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-yl)-4-N-(1H-indazol-4-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 24750882
4-N-[3-(diethylamino)propyl]-2-N-(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-yl)-4-N-(1H-indazol-4-yl)pyrimidine-2,4-diamine
CID 24751447
4-N-(5-aminopentyl)-2-N-(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-yl)-4-N-(1H-indazol-4-yl)pyrimidine-2,4-diamine
CID 24751587
4-N-ethyl-5-fluoro-4-N-(1H-indazol-4-yl)-2-N-(2-methyl-1,1-dioxo-3H-1,2-benzothiazol-6-yl)pyrimidine-2,4-diamine
CID 15979350
2-N-[2-(cyclopropylmethyl)-1,1-dioxo-3H-1,2-benzothiazol-6-yl]-4-N-ethyl-5-fluoro-4-N-(1H-indazol-4-yl)pyrimidine-2,4-diamine
CID 15979352
4-N-ethyl-2-N-(2-ethyl-1,1-dioxo-3H-1,2-benzothiazol-6-yl)-5-fluoro-4-N-(1H-indazol-4-yl)pyrimidine-2,4-diamine
CID 15979468
2-N-[2-(cyclobutylmethyl)-1,1-dioxo-3H-1,2-benzothiazol-6-yl]-4-N-ethyl-5-fluoro-4-N-(1H-indazol-4-yl)pyrimidine-2,4-diamine
CID 15979470
2-N-(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-yl)-5-fluoro-4-N-(1H-indazol-4-yl)-4-N-propylpyrimidine-2,4-diamine
CID 15979472
1-[5-[1-(benzenesulfonyl)-2-(2,6-difluorophenyl)indol-5-yl]-1-methylpyrazol-3-yl]-2-[5-[5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]hydrazine
CID 67043411

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,2-dimethylbenzenesulfonamide;N-tert-butyl-5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzenesulfonamide;2-N-tert-butyl-4-N-(7-fluoro-1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indazol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-5-yl)-5-methylpyrimidine-2,4-diamine;methane?
The IUPAC name of 5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,2-dimethylbenzenesulfonamide;N-tert-butyl-5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzenesulfonamide;2-N-tert-butyl-4-N-(7-fluoro-1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indazol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-5-yl)-5-methylpyrimidine-2,4-diamine;methane (CID 157408427) is 5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,2-dimethylbenzenesulfonamide;N-tert-butyl-5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzenesulfonamide;2-N-tert-butyl-4-N-(7-fluoro-1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indazol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-5-yl)-5-methylpyrimidine-2,4-diamine;methane.
What is the SMILES notation for 5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,2-dimethylbenzenesulfonamide;N-tert-butyl-5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzenesulfonamide;2-N-tert-butyl-4-N-(7-fluoro-1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indazol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-5-yl)-5-methylpyrimidine-2,4-diamine;methane?
The canonical SMILES for 5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,2-dimethylbenzenesulfonamide;N-tert-butyl-5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzenesulfonamide;2-N-tert-butyl-4-N-(7-fluoro-1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indazol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-5-yl)-5-methylpyrimidine-2,4-diamine;methane is C.CNS(=O)(=O)c1cc(Nc2nc(NC(C)(C)C)ncc2C)ccc1C.Cc1ccc(Nc2nc(NC(C)(C)C)ncc2C)cc1S(=O)(=O)NC(C)(C)C.Cc1cnc(NC(C)(C)C)nc1Nc1ccc(F)c2[nH]ccc12.Cc1cnc(NC(C)(C)C)nc1Nc1ccc2[nH]ccc2c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc2[nH]ncc12.
What is the InChIKey of 5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,2-dimethylbenzenesulfonamide;N-tert-butyl-5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzenesulfonamide;2-N-tert-butyl-4-N-(7-fluoro-1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indazol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-5-yl)-5-methylpyrimidine-2,4-diamine;methane?
The InChIKey is BNZOGPHRJAHYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2S.C17H20FN5.C17H25N5O2S.C17H21N5.C16H20N6.CH4/c1-13-9-10-15(11-16(13)28(26,27)25-20(6,7)8)22-17-14(2)12-21-18(23-17)24-19(3,4)5;1-10-9-20-16(23-17(2,3)4)22-15(10)21-13-6-5-12(18)14-11(13)7-8-19-14;1-11-7-8-13(9-14(11)25(23,24)18-6)20-15-12(2)10-19-16(21-15)22-17(3,4)5;1-11-10-19-16(22-17(2,3)4)21-15(11)20-13-5-6-14-12(9-13)7-8-18-14;1-10-8-17-15(21-16(2,3)4)20-14(10)19-12-6-5-7-13-11(12)9-18-22-13;/h9-12,25H,1-8H3,(H2,21,22,23,24);5-9,19H,1-4H3,(H2,20,21,22,23);7-10,18H,1-6H3,(H2,19,20,21,22);5-10,18H,1-4H3,(H2,19,20,21,22);5-9H,1-4H3,(H,18,22)(H2,17,19,20,21);1H4.
What are the key properties of 5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,2-dimethylbenzenesulfonamide;N-tert-butyl-5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzenesulfonamide;2-N-tert-butyl-4-N-(7-fluoro-1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indazol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-5-yl)-5-methylpyrimidine-2,4-diamine;methane?
5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,2-dimethylbenzenesulfonamide;N-tert-butyl-5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzenesulfonamide;2-N-tert-butyl-4-N-(7-fluoro-1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indazol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-5-yl)-5-methylpyrimidine-2,4-diamine;methane has a molecular weight of 1690.25 g/mol, XLogP of 19.91, 19 rotatable bonds, 15 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,2-dimethylbenzenesulfonamide;N-tert-butyl-5-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbenzenesulfonamide;2-N-tert-butyl-4-N-(7-fluoro-1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indazol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indol-5-yl)-5-methylpyrimidine-2,4-diamine;methane is sourced from PubChem (CID 157408427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).