3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea;2-N-tert-butyl-4-N-(3-tert-butylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chloro-3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-ethylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine

C109H150ClN27O5S2 — CID 157359666

IUPAC3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea;2-N-tert-butyl-4-N-(3-tert-butylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chloro-3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-ethylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine
SMILESCCS(=O)(=O)c1cccc(Nc2nc(NC(C)(C)C)ncc2C)c1.Cc1cc(C)cc(Nc2nc(NC(C)(C)C)ncc2C)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cc(C)c(Cl)c(C)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(C)(C)C)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(NC(=O)Nc2ccccc2)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C22H26N6O.C19H28N4.C17H23ClN4.C17H25N5O2S.C17H24N4O2S.C17H24N4/c1-15-14-23-20(28-22(2,3)4)27-19(15)24-17-11-8-12-18(13-17)26-21(29)25-16-9-6-5-7-10-16;1-13-12-20-17(23-19(5,6)7)22-16(13)21-15-10-8-9-14(11-15)18(2,3)4;1-10-7-13(8-11(2)14(10)18)20-15-12(3)9-19-16(21-15)22-17(4,5)6;1-12-11-18-16(21-17(2,3)4)20-15(12)19-13-8-7-9-14(10-13)25(23,24)22(5)6;1-6-24(22,23)14-9-7-8-13(10-14)19-15-12(2)11-18-16(20-15)21-17(3,4)5;1-11-7-12(2)9-14(8-11)19-15-13(3)10-18-16(20-15)21-17(4,5)6/h5-14H,1-4H3,(H2,25,26,29)(H2,23,24,27,28);8-12H,1-7H3,(H2,20,21,22,23);7-9H,1-6H3,(H2,19,20,21,22);7-11H,1-6H3,(H2,18,19,20,21);7-11H,6H2,1-5H3,(H2,18,19,20,21);7-10H,1-6H3,(H2,18,19,20,21)
InChIKeyBIMJESVOIXZCDG-UHFFFAOYSA-N
MW2018.17 g/mol
LogP26.31
Rot. Bonds24

About 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea;2-N-tert-butyl-4-N-(3-tert-butylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chloro-3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-ethylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine

3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea;2-N-tert-butyl-4-N-(3-tert-butylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chloro-3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-ethylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine (PubChem CID 157359666) has the molecular formula C109H150ClN27O5S2 and a molecular weight of 2018.17 g/mol. Its IUPAC name is 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea;2-N-tert-butyl-4-N-(3-tert-butylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chloro-3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-ethylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea;2-N-tert-butyl-4-N-(3-tert-butylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chloro-3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-ethylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine
PubChem CID157359666
Molecular FormulaC109H150ClN27O5S2
Molecular Weight2018.17 g/mol
Exact Mass2016.14
IUPAC Name3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea;2-N-tert-butyl-4-N-(3-tert-butylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chloro-3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-ethylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine
SMILESCCS(=O)(=O)c1cccc(Nc2nc(NC(C)(C)C)ncc2C)c1.Cc1cc(C)cc(Nc2nc(NC(C)(C)C)ncc2C)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cc(C)c(Cl)c(C)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(C)(C)C)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(NC(=O)Nc2ccccc2)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C22H26N6O.C19H28N4.C17H23ClN4.C17H25N5O2S.C17H24N4O2S.C17H24N4/c1-15-14-23-20(28-22(2,3)4)27-19(15)24-17-11-8-12-18(13-17)26-21(29)25-16-9-6-5-7-10-16;1-13-12-20-17(23-19(5,6)7)22-16(13)21-15-10-8-9-14(11-15)18(2,3)4;1-10-7-13(8-11(2)14(10)18)20-15-12(3)9-19-16(21-15)22-17(4,5)6;1-12-11-18-16(21-17(2,3)4)20-15(12)19-13-8-7-9-14(10-13)25(23,24)22(5)6;1-6-24(22,23)14-9-7-8-13(10-14)19-15-12(2)11-18-16(20-15)21-17(3,4)5;1-11-7-12(2)9-14(8-11)19-15-13(3)10-18-16(20-15)21-17(4,5)6/h5-14H,1-4H3,(H2,25,26,29)(H2,23,24,27,28);8-12H,1-7H3,(H2,20,21,22,23);7-9H,1-6H3,(H2,19,20,21,22);7-11H,1-6H3,(H2,18,19,20,21);7-11H,6H2,1-5H3,(H2,18,19,20,21);7-10H,1-6H3,(H2,18,19,20,21)
InChIKeyBIMJESVOIXZCDG-UHFFFAOYSA-N
XLogP26.31
TPSA411.69 Ų
H-Bond Donors14
H-Bond Acceptors29
Rotatable Bonds24
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002018.17
LogP ≤ 526.31
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1029

Analyze 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea;2-N-tert-butyl-4-N-(3-tert-butylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chloro-3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-ethylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea;2-N-tert-butyl-4-N-(3-tert-butylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chloro-3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-ethylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea;2-N-tert-butyl-4-N-(3-tert-butylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chloro-3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-ethylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine (CID 157359666) is 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea;2-N-tert-butyl-4-N-(3-tert-butylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chloro-3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-ethylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea;2-N-tert-butyl-4-N-(3-tert-butylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chloro-3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-ethylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea;2-N-tert-butyl-4-N-(3-tert-butylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chloro-3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-ethylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine is CCS(=O)(=O)c1cccc(Nc2nc(NC(C)(C)C)ncc2C)c1.Cc1cc(C)cc(Nc2nc(NC(C)(C)C)ncc2C)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cc(C)c(Cl)c(C)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(C)(C)C)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(NC(=O)Nc2ccccc2)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea;2-N-tert-butyl-4-N-(3-tert-butylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chloro-3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-ethylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine?
The InChIKey is BIMJESVOIXZCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O.C19H28N4.C17H23ClN4.C17H25N5O2S.C17H24N4O2S.C17H24N4/c1-15-14-23-20(28-22(2,3)4)27-19(15)24-17-11-8-12-18(13-17)26-21(29)25-16-9-6-5-7-10-16;1-13-12-20-17(23-19(5,6)7)22-16(13)21-15-10-8-9-14(11-15)18(2,3)4;1-10-7-13(8-11(2)14(10)18)20-15-12(3)9-19-16(21-15)22-17(4,5)6;1-12-11-18-16(21-17(2,3)4)20-15(12)19-13-8-7-9-14(10-13)25(23,24)22(5)6;1-6-24(22,23)14-9-7-8-13(10-14)19-15-12(2)11-18-16(20-15)21-17(3,4)5;1-11-7-12(2)9-14(8-11)19-15-13(3)10-18-16(20-15)21-17(4,5)6/h5-14H,1-4H3,(H2,25,26,29)(H2,23,24,27,28);8-12H,1-7H3,(H2,20,21,22,23);7-9H,1-6H3,(H2,19,20,21,22);7-11H,1-6H3,(H2,18,19,20,21);7-11H,6H2,1-5H3,(H2,18,19,20,21);7-10H,1-6H3,(H2,18,19,20,21).
What are the key properties of 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea;2-N-tert-butyl-4-N-(3-tert-butylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chloro-3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-ethylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine?
3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea;2-N-tert-butyl-4-N-(3-tert-butylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chloro-3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-ethylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine has a molecular weight of 2018.17 g/mol, XLogP of 26.31, 24 rotatable bonds, 14 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea;2-N-tert-butyl-4-N-(3-tert-butylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(4-chloro-3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-ethylsulfonylphenyl)-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 157359666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).