3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-tert-butyl-5-methyl-4-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine

C116H166N30O11S4 — CID 159268336

IUPAC3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-tert-butyl-5-methyl-4-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
SMILESCCN(CC)S(=O)(=O)c1cccc(Nc2nc(NC(C)(C)C)ncc2C)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(=O)N2CCCC2)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(=O)NC(C)C)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)N2CCCC2)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)N2CCOCC2)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C20H29N5O2S.C20H27N5O.C19H27N5O3S.C19H27N5O2S.C19H29N5O2S.C19H27N5O/c1-14-13-21-19(24-20(2,3)4)23-18(14)22-16-10-7-11-17(12-16)28(26,27)25-15-8-5-6-9-15;1-14-13-21-19(24-20(2,3)4)23-17(14)22-16-9-7-8-15(12-16)18(26)25-10-5-6-11-25;1-14-13-20-18(23-19(2,3)4)22-17(14)21-15-6-5-7-16(12-15)28(25,26)24-8-10-27-11-9-24;1-14-13-20-18(23-19(2,3)4)22-17(14)21-15-8-7-9-16(12-15)27(25,26)24-10-5-6-11-24;1-7-24(8-2)27(25,26)16-11-9-10-15(12-16)21-17-14(3)13-20-18(22-17)23-19(4,5)6;1-12(2)21-17(25)14-8-7-9-15(10-14)22-16-13(3)11-20-18(23-16)24-19(4,5)6/h7,10-13,15,25H,5-6,8-9H2,1-4H3,(H2,21,22,23,24);7-9,12-13H,5-6,10-11H2,1-4H3,(H2,21,22,23,24);5-7,12-13H,8-11H2,1-4H3,(H2,20,21,22,23);7-9,12-13H,5-6,10-11H2,1-4H3,(H2,20,21,22,23);9-13H,7-8H2,1-6H3,(H2,20,21,22,23);7-12H,1-6H3,(H,21,25)(H2,20,22,23,24)
InChIKeyKXJSTSZULSEZQF-UHFFFAOYSA-N
MW2285.07 g/mol
LogP21.87
Rot. Bonds32

About 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-tert-butyl-5-methyl-4-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine

3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-tert-butyl-5-methyl-4-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine (PubChem CID 159268336) has the molecular formula C116H166N30O11S4 and a molecular weight of 2285.07 g/mol. Its IUPAC name is 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-tert-butyl-5-methyl-4-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-tert-butyl-5-methyl-4-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
PubChem CID159268336
Molecular FormulaC116H166N30O11S4
Molecular Weight2285.07 g/mol
Exact Mass2283.22
IUPAC Name3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-tert-butyl-5-methyl-4-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
SMILESCCN(CC)S(=O)(=O)c1cccc(Nc2nc(NC(C)(C)C)ncc2C)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(=O)N2CCCC2)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(=O)NC(C)C)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)N2CCCC2)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)N2CCOCC2)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C20H29N5O2S.C20H27N5O.C19H27N5O3S.C19H27N5O2S.C19H29N5O2S.C19H27N5O/c1-14-13-21-19(24-20(2,3)4)23-18(14)22-16-10-7-11-17(12-16)28(26,27)25-15-8-5-6-9-15;1-14-13-21-19(24-20(2,3)4)23-17(14)22-16-9-7-8-15(12-16)18(26)25-10-5-6-11-25;1-14-13-20-18(23-19(2,3)4)22-17(14)21-15-6-5-7-16(12-15)28(25,26)24-8-10-27-11-9-24;1-14-13-20-18(23-19(2,3)4)22-17(14)21-15-8-7-9-16(12-15)27(25,26)24-10-5-6-11-24;1-7-24(8-2)27(25,26)16-11-9-10-15(12-16)21-17-14(3)13-20-18(22-17)23-19(4,5)6;1-12(2)21-17(25)14-8-7-9-15(10-14)22-16-13(3)11-20-18(23-16)24-19(4,5)6/h7,10-13,15,25H,5-6,8-9H2,1-4H3,(H2,21,22,23,24);7-9,12-13H,5-6,10-11H2,1-4H3,(H2,21,22,23,24);5-7,12-13H,8-11H2,1-4H3,(H2,20,21,22,23);7-9,12-13H,5-6,10-11H2,1-4H3,(H2,20,21,22,23);9-13H,7-8H2,1-6H3,(H2,20,21,22,23);7-12H,1-6H3,(H,21,25)(H2,20,22,23,24)
InChIKeyKXJSTSZULSEZQF-UHFFFAOYSA-N
XLogP21.87
TPSA515.99 Ų
H-Bond Donors14
H-Bond Acceptors35
Rotatable Bonds32
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002285.07
LogP ≤ 521.87
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1035

Analyze 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-tert-butyl-5-methyl-4-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N-[4-[4-[[5-methyl-4-(3-morpholin-4-ylsulfonylanilino)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]benzamide
CID 89101364
3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N-[[4-[4-[[5-methyl-4-(3-morpholin-4-ylsulfonylanilino)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]methyl]benzamide
CID 91214286
1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3,3-dimethylbutan-1-one;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-methylbutan-1-one;2-N-tert-butyl-4-N-[3-(cyclopentylmethylsulfonyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-propylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 157081312
2-[4-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;N-tert-butyl-3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;2-N-tert-butyl-4-N-[3-(2,5-dimethylpyrrolidin-1-yl)sulfonylphenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-propylsulfonylphenyl)pyrimidine-2,4-diamine
CID 157347048
1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-methylbutan-1-one;2-N-tert-butyl-4-N-[3-(cyclopentylmethylsulfonyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-propylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 157379703
1-[7-[(2-anilino-5-methylpyrimidin-4-yl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one;(E)-N-[3-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)but-2-enamide;N-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]prop-2-enamide;3-[[5-methyl-4-[3-(3-methylbut-2-enoyl)anilino]pyrimidin-2-yl]amino]benzenesulfonamide;3-[[5-methyl-4-[(2-prop-2-enoyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 157608267
N-cyclohexyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N,N-diethyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzamide;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 157824413
3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-tert-butyl-4-N-[3-(cyclopentylmethylsulfonyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(2-methylpropylsulfinyl)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 157878958
CID 158109457
CID 158109457
3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-tert-butyl-5-methyl-4-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 158658843
3-[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]amino]-N-tert-butylbenzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(1-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[3-(2H-tetrazol-5-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(1,2,4-triaza-3-azoniacyclopenta-2,3-dien-5-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide
CID 158856129
3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-tert-butyl-5-methyl-4-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 158869262

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-tert-butyl-5-methyl-4-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-tert-butyl-5-methyl-4-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine (CID 159268336) is 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-tert-butyl-5-methyl-4-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-tert-butyl-5-methyl-4-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-tert-butyl-5-methyl-4-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine is CCN(CC)S(=O)(=O)c1cccc(Nc2nc(NC(C)(C)C)ncc2C)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(=O)N2CCCC2)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(=O)NC(C)C)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)N2CCCC2)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)N2CCOCC2)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-tert-butyl-5-methyl-4-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The InChIKey is KXJSTSZULSEZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2S.C20H27N5O.C19H27N5O3S.C19H27N5O2S.C19H29N5O2S.C19H27N5O/c1-14-13-21-19(24-20(2,3)4)23-18(14)22-16-10-7-11-17(12-16)28(26,27)25-15-8-5-6-9-15;1-14-13-21-19(24-20(2,3)4)23-17(14)22-16-9-7-8-15(12-16)18(26)25-10-5-6-11-25;1-14-13-20-18(23-19(2,3)4)22-17(14)21-15-6-5-7-16(12-15)28(25,26)24-8-10-27-11-9-24;1-14-13-20-18(23-19(2,3)4)22-17(14)21-15-8-7-9-16(12-15)27(25,26)24-10-5-6-11-24;1-7-24(8-2)27(25,26)16-11-9-10-15(12-16)21-17-14(3)13-20-18(22-17)23-19(4,5)6;1-12(2)21-17(25)14-8-7-9-15(10-14)22-16-13(3)11-20-18(23-16)24-19(4,5)6/h7,10-13,15,25H,5-6,8-9H2,1-4H3,(H2,21,22,23,24);7-9,12-13H,5-6,10-11H2,1-4H3,(H2,21,22,23,24);5-7,12-13H,8-11H2,1-4H3,(H2,20,21,22,23);7-9,12-13H,5-6,10-11H2,1-4H3,(H2,20,21,22,23);9-13H,7-8H2,1-6H3,(H2,20,21,22,23);7-12H,1-6H3,(H,21,25)(H2,20,22,23,24).
What are the key properties of 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-tert-butyl-5-methyl-4-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine?
3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-tert-butyl-5-methyl-4-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine has a molecular weight of 2285.07 g/mol, XLogP of 21.87, 32 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;2-N-tert-butyl-5-methyl-4-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 159268336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).