sodium;2-N-(3-aminophenyl)-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-nitrophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;1-fluoro-2-nitrobenzene;hydride;3-nitroaniline;1-nitro-2-propan-2-ylsulfanylbenzene;1-nitro-2-propan-2-ylsulfonylbenzene;2-propan-2-ylsulfonylaniline;2,4,5-trichloropyrimidine

C94H98Cl7FN21NaO20S6 — CID 157253324

IUPACsodium;2-N-(3-aminophenyl)-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-nitrophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;1-fluoro-2-nitrobenzene;hydride;3-nitroaniline;1-nitro-2-propan-2-ylsulfanylbenzene;1-nitro-2-propan-2-ylsulfonylbenzene;2-propan-2-ylsulfonylaniline;2,4,5-trichloropyrimidine
SMILESCC(C)S(=O)(=O)c1ccccc1N.CC(C)S(=O)(=O)c1ccccc1Nc1nc(Cl)ncc1Cl.CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(N)c2)ncc1Cl.CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc([N+](=O)[O-])c2)ncc1Cl.CC(C)S(=O)(=O)c1ccccc1[N+](=O)[O-].CC(C)Sc1ccccc1[N+](=O)[O-].Clc1ncc(Cl)c(Cl)n1.Nc1cccc([N+](=O)[O-])c1.O=[N+]([O-])c1ccccc1F.[H-].[Na+]
InChIInChI=1S/C19H18ClN5O4S.C19H20ClN5O2S.C13H13Cl2N3O2S.C9H11NO4S.C9H13NO2S.C9H11NO2S.C6H4FNO2.C6H6N2O2.C4HCl3N2.Na.H/c1-12(2)30(28,29)17-9-4-3-8-16(17)23-18-15(20)11-21-19(24-18)22-13-6-5-7-14(10-13)25(26)27;1-12(2)28(26,27)17-9-4-3-8-16(17)24-18-15(20)11-22-19(25-18)23-14-7-5-6-13(21)10-14;1-8(2)21(19,20)11-6-4-3-5-10(11)17-12-9(14)7-16-13(15)18-12;1-7(2)15(13,14)9-6-4-3-5-8(9)10(11)12;1-7(2)13(11,12)9-6-4-3-5-8(9)10;1-7(2)13-9-6-4-3-5-8(9)10(11)12;7-5-3-1-2-4-6(5)8(9)10;7-5-2-1-3-6(4-5)8(9)10;5-2-1-8-4(7)9-3(2)6;;/h3-12H,1-2H3,(H2,21,22,23,24);3-12H,21H2,1-2H3,(H2,22,23,24,25);3-8H,1-2H3,(H,16,17,18);3-7H,1-2H3;3-7H,10H2,1-2H3;3-7H,1-2H3;1-4H;1-4H,7H2;1H;;/q;;;;;;;;;+1;-1
InChIKeyLOWZUOICKZJLCU-UHFFFAOYSA-N
MW2324.51 g/mol
LogP21.59
Rot. Bonds27

About sodium;2-N-(3-aminophenyl)-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-nitrophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;1-fluoro-2-nitrobenzene;hydride;3-nitroaniline;1-nitro-2-propan-2-ylsulfanylbenzene;1-nitro-2-propan-2-ylsulfonylbenzene;2-propan-2-ylsulfonylaniline;2,4,5-trichloropyrimidine

sodium;2-N-(3-aminophenyl)-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-nitrophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;1-fluoro-2-nitrobenzene;hydride;3-nitroaniline;1-nitro-2-propan-2-ylsulfanylbenzene;1-nitro-2-propan-2-ylsulfonylbenzene;2-propan-2-ylsulfonylaniline;2,4,5-trichloropyrimidine (PubChem CID 157253324) has the molecular formula C94H98Cl7FN21NaO20S6 and a molecular weight of 2324.51 g/mol. Its IUPAC name is sodium;2-N-(3-aminophenyl)-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-nitrophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;1-fluoro-2-nitrobenzene;hydride;3-nitroaniline;1-nitro-2-propan-2-ylsulfanylbenzene;1-nitro-2-propan-2-ylsulfonylbenzene;2-propan-2-ylsulfonylaniline;2,4,5-trichloropyrimidine.

Molecular Properties

Compound Namesodium;2-N-(3-aminophenyl)-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-nitrophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;1-fluoro-2-nitrobenzene;hydride;3-nitroaniline;1-nitro-2-propan-2-ylsulfanylbenzene;1-nitro-2-propan-2-ylsulfonylbenzene;2-propan-2-ylsulfonylaniline;2,4,5-trichloropyrimidine
PubChem CID157253324
Molecular FormulaC94H98Cl7FN21NaO20S6
Molecular Weight2324.51 g/mol
Exact Mass2319.33
IUPAC Namesodium;2-N-(3-aminophenyl)-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-nitrophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;1-fluoro-2-nitrobenzene;hydride;3-nitroaniline;1-nitro-2-propan-2-ylsulfanylbenzene;1-nitro-2-propan-2-ylsulfonylbenzene;2-propan-2-ylsulfonylaniline;2,4,5-trichloropyrimidine
SMILESCC(C)S(=O)(=O)c1ccccc1N.CC(C)S(=O)(=O)c1ccccc1Nc1nc(Cl)ncc1Cl.CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(N)c2)ncc1Cl.CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc([N+](=O)[O-])c2)ncc1Cl.CC(C)S(=O)(=O)c1ccccc1[N+](=O)[O-].CC(C)Sc1ccccc1[N+](=O)[O-].Clc1ncc(Cl)c(Cl)n1.Nc1cccc([N+](=O)[O-])c1.O=[N+]([O-])c1ccccc1F.[H-].[Na+]
InChIInChI=1S/C19H18ClN5O4S.C19H20ClN5O2S.C13H13Cl2N3O2S.C9H11NO4S.C9H13NO2S.C9H11NO2S.C6H4FNO2.C6H6N2O2.C4HCl3N2.Na.H/c1-12(2)30(28,29)17-9-4-3-8-16(17)23-18-15(20)11-21-19(24-18)22-13-6-5-7-14(10-13)25(26)27;1-12(2)28(26,27)17-9-4-3-8-16(17)24-18-15(20)11-22-19(25-18)23-14-7-5-6-13(21)10-14;1-8(2)21(19,20)11-6-4-3-5-10(11)17-12-9(14)7-16-13(15)18-12;1-7(2)15(13,14)9-6-4-3-5-8(9)10(11)12;1-7(2)13(11,12)9-6-4-3-5-8(9)10;1-7(2)13-9-6-4-3-5-8(9)10(11)12;7-5-3-1-2-4-6(5)8(9)10;7-5-2-1-3-6(4-5)8(9)10;5-2-1-8-4(7)9-3(2)6;;/h3-12H,1-2H3,(H2,21,22,23,24);3-12H,21H2,1-2H3,(H2,22,23,24,25);3-8H,1-2H3,(H,16,17,18);3-7H,1-2H3;3-7H,10H2,1-2H3;3-7H,1-2H3;1-4H;1-4H,7H2;1H;;/q;;;;;;;;;+1;-1
InChIKeyLOWZUOICKZJLCU-UHFFFAOYSA-N
XLogP21.59
TPSA627.73 Ų
H-Bond Donors8
H-Bond Acceptors37
Rotatable Bonds27
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002324.51
LogP ≤ 521.59
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze sodium;2-N-(3-aminophenyl)-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-nitrophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;1-fluoro-2-nitrobenzene;hydride;3-nitroaniline;1-nitro-2-propan-2-ylsulfanylbenzene;1-nitro-2-propan-2-ylsulfonylbenzene;2-propan-2-ylsulfonylaniline;2,4,5-trichloropyrimidine with MolForge

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Related Compounds

5-chloro-2-N-(4-fluoro-3-nitrophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 154638110
2,5-dichloro-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;4-fluoro-2-nitro-1-propan-2-ylsulfanylbenzene;4-fluoro-2-nitro-1-propan-2-ylsulfonylbenzene;5-fluoro-2-propan-2-ylsulfonylaniline
CID 157261101
2-N-[(3-aminophenyl)methyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[(3-nitrophenyl)methyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 157306229
2-N-[5-amino-2-methyl-4-(1-methylpiperidin-4-yl)phenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-methyl-4-(1-methylpiperidin-4-yl)-5-nitrophenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 157756016
2,5-dichloro-N-(2-fluoro-6-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;1-fluoro-2-nitro-3-propan-2-ylsulfanylbenzene;1-fluoro-2-nitro-3-propan-2-ylsulfonylbenzene;2-fluoro-6-propan-2-ylsulfonylaniline
CID 157831455
1-chloro-2-nitrobenzene;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;methyl propane-2-sulfinate;1-nitro-2-propan-2-ylsulfonylbenzene;2-propan-2-ylsulfonylaniline;hydroiodide
CID 157886895
5-chloro-2-N-(3-nitrophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;methane;3-nitroaniline
CID 157997797
dipotassium;2-[[2-(3-aminoanilino)-5-chloropyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[[5-chloro-2-(3-nitroanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzenesulfonamide;2-ethylsulfonylaniline;1-ethylsulfonyl-2-nitrobenzene;hydride;methanamine;3-nitroaniline;2-nitrobenzenesulfonyl chloride;oxido formate;2,4,5-trichloropyrimidine
CID 158267905
2,5-dichloro-N-(2-propan-2-ylsulfanylphenyl)pyrimidin-4-amine;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;2-propan-2-ylsulfanylaniline;2,4,5-trichloropyrimidine
CID 158274827
2-[[2-(3-aminoanilino)-5-chloropyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[[5-chloro-2-(3-nitroanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
CID 158376794
2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;methane;2-propan-2-ylsulfonylaniline;2,4,5-trichloropyrimidine
CID 158384949
dipotassium;2-[[2-(3-aminoanilino)-5-chloropyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;N-[3-[[5-chloro-4-[2-(methylsulfamoyl)anilino]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;2-[[5-chloro-2-(3-nitroanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzenesulfonamide;2-ethylsulfonylaniline;1-ethylsulfonyl-2-nitrobenzene;hydride;methanamine;methane;3-nitroaniline;2-nitrobenzenesulfonyl chloride;oxido formate;2,4,5-trichloropyrimidine
CID 158636137

Frequently Asked Questions

What is the IUPAC name of sodium;2-N-(3-aminophenyl)-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-nitrophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;1-fluoro-2-nitrobenzene;hydride;3-nitroaniline;1-nitro-2-propan-2-ylsulfanylbenzene;1-nitro-2-propan-2-ylsulfonylbenzene;2-propan-2-ylsulfonylaniline;2,4,5-trichloropyrimidine?
The IUPAC name of sodium;2-N-(3-aminophenyl)-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-nitrophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;1-fluoro-2-nitrobenzene;hydride;3-nitroaniline;1-nitro-2-propan-2-ylsulfanylbenzene;1-nitro-2-propan-2-ylsulfonylbenzene;2-propan-2-ylsulfonylaniline;2,4,5-trichloropyrimidine (CID 157253324) is sodium;2-N-(3-aminophenyl)-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-nitrophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;1-fluoro-2-nitrobenzene;hydride;3-nitroaniline;1-nitro-2-propan-2-ylsulfanylbenzene;1-nitro-2-propan-2-ylsulfonylbenzene;2-propan-2-ylsulfonylaniline;2,4,5-trichloropyrimidine.
What is the SMILES notation for sodium;2-N-(3-aminophenyl)-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-nitrophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;1-fluoro-2-nitrobenzene;hydride;3-nitroaniline;1-nitro-2-propan-2-ylsulfanylbenzene;1-nitro-2-propan-2-ylsulfonylbenzene;2-propan-2-ylsulfonylaniline;2,4,5-trichloropyrimidine?
The canonical SMILES for sodium;2-N-(3-aminophenyl)-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-nitrophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;1-fluoro-2-nitrobenzene;hydride;3-nitroaniline;1-nitro-2-propan-2-ylsulfanylbenzene;1-nitro-2-propan-2-ylsulfonylbenzene;2-propan-2-ylsulfonylaniline;2,4,5-trichloropyrimidine is CC(C)S(=O)(=O)c1ccccc1N.CC(C)S(=O)(=O)c1ccccc1Nc1nc(Cl)ncc1Cl.CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(N)c2)ncc1Cl.CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc([N+](=O)[O-])c2)ncc1Cl.CC(C)S(=O)(=O)c1ccccc1[N+](=O)[O-].CC(C)Sc1ccccc1[N+](=O)[O-].Clc1ncc(Cl)c(Cl)n1.Nc1cccc([N+](=O)[O-])c1.O=[N+]([O-])c1ccccc1F.[H-].[Na+].
What is the InChIKey of sodium;2-N-(3-aminophenyl)-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-nitrophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;1-fluoro-2-nitrobenzene;hydride;3-nitroaniline;1-nitro-2-propan-2-ylsulfanylbenzene;1-nitro-2-propan-2-ylsulfonylbenzene;2-propan-2-ylsulfonylaniline;2,4,5-trichloropyrimidine?
The InChIKey is LOWZUOICKZJLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O4S.C19H20ClN5O2S.C13H13Cl2N3O2S.C9H11NO4S.C9H13NO2S.C9H11NO2S.C6H4FNO2.C6H6N2O2.C4HCl3N2.Na.H/c1-12(2)30(28,29)17-9-4-3-8-16(17)23-18-15(20)11-21-19(24-18)22-13-6-5-7-14(10-13)25(26)27;1-12(2)28(26,27)17-9-4-3-8-16(17)24-18-15(20)11-22-19(25-18)23-14-7-5-6-13(21)10-14;1-8(2)21(19,20)11-6-4-3-5-10(11)17-12-9(14)7-16-13(15)18-12;1-7(2)15(13,14)9-6-4-3-5-8(9)10(11)12;1-7(2)13(11,12)9-6-4-3-5-8(9)10;1-7(2)13-9-6-4-3-5-8(9)10(11)12;7-5-3-1-2-4-6(5)8(9)10;7-5-2-1-3-6(4-5)8(9)10;5-2-1-8-4(7)9-3(2)6;;/h3-12H,1-2H3,(H2,21,22,23,24);3-12H,21H2,1-2H3,(H2,22,23,24,25);3-8H,1-2H3,(H,16,17,18);3-7H,1-2H3;3-7H,10H2,1-2H3;3-7H,1-2H3;1-4H;1-4H,7H2;1H;;/q;;;;;;;;;+1;-1.
What are the key properties of sodium;2-N-(3-aminophenyl)-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-nitrophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;1-fluoro-2-nitrobenzene;hydride;3-nitroaniline;1-nitro-2-propan-2-ylsulfanylbenzene;1-nitro-2-propan-2-ylsulfonylbenzene;2-propan-2-ylsulfonylaniline;2,4,5-trichloropyrimidine?
sodium;2-N-(3-aminophenyl)-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-nitrophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;1-fluoro-2-nitrobenzene;hydride;3-nitroaniline;1-nitro-2-propan-2-ylsulfanylbenzene;1-nitro-2-propan-2-ylsulfonylbenzene;2-propan-2-ylsulfonylaniline;2,4,5-trichloropyrimidine has a molecular weight of 2324.51 g/mol, XLogP of 21.59, 27 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-N-(3-aminophenyl)-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-nitrophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;1-fluoro-2-nitrobenzene;hydride;3-nitroaniline;1-nitro-2-propan-2-ylsulfanylbenzene;1-nitro-2-propan-2-ylsulfonylbenzene;2-propan-2-ylsulfonylaniline;2,4,5-trichloropyrimidine is sourced from PubChem (CID 157253324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).