4-bromo-2,6-dimethylaniline;4-[[4-(4-bromo-2,6-dimethylanilino)-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]amino]benzonitrile;4-[[4-(4-bromo-2,6-dimethylanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzonitrile;N-(4-bromo-2,6-dimethylphenyl)-2-chloro-6-methyl-5-nitropyrimidin-4-amine;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;2,4-dichloro-6-methyl-5-nitropyrimidine

C133H135Br6Cl3N34O18 — CID 158404193

IUPAC4-bromo-2,6-dimethylaniline;4-[[4-(4-bromo-2,6-dimethylanilino)-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]amino]benzonitrile;4-[[4-(4-bromo-2,6-dimethylanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzonitrile;N-(4-bromo-2,6-dimethylphenyl)-2-chloro-6-methyl-5-nitropyrimidin-4-amine;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;2,4-dichloro-6-methyl-5-nitropyrimidine
SMILESCc1cc(Br)cc(C)c1N.Cc1cc(Br)cc(C)c1N(C(=O)OC(C)(C)C)c1nc(N(C(=O)OC(C)(C)C)c2ccc(C#N)cc2)nc(/C=C/N(C)C)c1[N+](=O)[O-].Cc1cc(Br)cc(C)c1N(C(=O)OC(C)(C)C)c1nc(N(C(=O)OC(C)(C)C)c2ccc(C#N)cc2)nc2cc[nH]c12.Cc1cc(Br)cc(C)c1Nc1nc(Cl)nc(C)c1[N+](=O)[O-].Cc1cc(Br)cc(C)c1Nc1nc(Nc2ccc(C#N)cc2)nc(/C=C/N(C)C)c1[N+](=O)[O-].Cc1cc(Br)cc(C)c1Nc1nc(Nc2ccc(C#N)cc2)nc(C)c1[N+](=O)[O-].Cc1nc(Cl)nc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C33H38BrN7O6.C31H33BrN6O4.C23H22BrN7O2.C20H17BrN6O2.C13H12BrClN4O2.C8H10BrN.C5H3Cl2N3O2/c1-20-17-23(34)18-21(2)26(20)40(31(43)47-33(6,7)8)28-27(41(44)45)25(15-16-38(9)10)36-29(37-28)39(30(42)46-32(3,4)5)24-13-11-22(19-35)12-14-24;1-18-15-21(32)16-19(2)25(18)38(29(40)42-31(6,7)8)26-24-23(13-14-34-24)35-27(36-26)37(28(39)41-30(3,4)5)22-11-9-20(17-33)10-12-22;1-14-11-17(24)12-15(2)20(14)28-22-21(31(32)33)19(9-10-30(3)4)27-23(29-22)26-18-7-5-16(13-25)6-8-18;1-11-8-15(21)9-12(2)17(11)25-19-18(27(28)29)13(3)23-20(26-19)24-16-6-4-14(10-22)5-7-16;1-6-4-9(14)5-7(2)10(6)17-12-11(19(20)21)8(3)16-13(15)18-12;1-5-3-7(9)4-6(2)8(5)10;1-2-3(10(11)12)4(6)9-5(7)8-2/h11-18H,1-10H3;9-16,34H,1-8H3;5-12H,1-4H3,(H2,26,27,28,29);4-9H,1-3H3,(H2,23,24,25,26);4-5H,1-3H3,(H,16,17,18);3-4H,10H2,1-2H3;1H3/b16-15+;;10-9+;;;;
InChIKeyGYLZULGJQJGAHM-WKSFRQCASA-N
MW3083.55 g/mol
LogP36.87
Rot. Bonds27

About 4-bromo-2,6-dimethylaniline;4-[[4-(4-bromo-2,6-dimethylanilino)-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]amino]benzonitrile;4-[[4-(4-bromo-2,6-dimethylanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzonitrile;N-(4-bromo-2,6-dimethylphenyl)-2-chloro-6-methyl-5-nitropyrimidin-4-amine;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;2,4-dichloro-6-methyl-5-nitropyrimidine

4-bromo-2,6-dimethylaniline;4-[[4-(4-bromo-2,6-dimethylanilino)-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]amino]benzonitrile;4-[[4-(4-bromo-2,6-dimethylanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzonitrile;N-(4-bromo-2,6-dimethylphenyl)-2-chloro-6-methyl-5-nitropyrimidin-4-amine;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;2,4-dichloro-6-methyl-5-nitropyrimidine (PubChem CID 158404193) has the molecular formula C133H135Br6Cl3N34O18 and a molecular weight of 3083.55 g/mol. Its IUPAC name is 4-bromo-2,6-dimethylaniline;4-[[4-(4-bromo-2,6-dimethylanilino)-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]amino]benzonitrile;4-[[4-(4-bromo-2,6-dimethylanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzonitrile;N-(4-bromo-2,6-dimethylphenyl)-2-chloro-6-methyl-5-nitropyrimidin-4-amine;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;2,4-dichloro-6-methyl-5-nitropyrimidine.

Molecular Properties

Compound Name4-bromo-2,6-dimethylaniline;4-[[4-(4-bromo-2,6-dimethylanilino)-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]amino]benzonitrile;4-[[4-(4-bromo-2,6-dimethylanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzonitrile;N-(4-bromo-2,6-dimethylphenyl)-2-chloro-6-methyl-5-nitropyrimidin-4-amine;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;2,4-dichloro-6-methyl-5-nitropyrimidine
PubChem CID158404193
Molecular FormulaC133H135Br6Cl3N34O18
Molecular Weight3083.55 g/mol
Exact Mass3074.49
IUPAC Name4-bromo-2,6-dimethylaniline;4-[[4-(4-bromo-2,6-dimethylanilino)-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]amino]benzonitrile;4-[[4-(4-bromo-2,6-dimethylanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzonitrile;N-(4-bromo-2,6-dimethylphenyl)-2-chloro-6-methyl-5-nitropyrimidin-4-amine;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;2,4-dichloro-6-methyl-5-nitropyrimidine
SMILESCc1cc(Br)cc(C)c1N.Cc1cc(Br)cc(C)c1N(C(=O)OC(C)(C)C)c1nc(N(C(=O)OC(C)(C)C)c2ccc(C#N)cc2)nc(/C=C/N(C)C)c1[N+](=O)[O-].Cc1cc(Br)cc(C)c1N(C(=O)OC(C)(C)C)c1nc(N(C(=O)OC(C)(C)C)c2ccc(C#N)cc2)nc2cc[nH]c12.Cc1cc(Br)cc(C)c1Nc1nc(Cl)nc(C)c1[N+](=O)[O-].Cc1cc(Br)cc(C)c1Nc1nc(Nc2ccc(C#N)cc2)nc(/C=C/N(C)C)c1[N+](=O)[O-].Cc1cc(Br)cc(C)c1Nc1nc(Nc2ccc(C#N)cc2)nc(C)c1[N+](=O)[O-].Cc1nc(Cl)nc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C33H38BrN7O6.C31H33BrN6O4.C23H22BrN7O2.C20H17BrN6O2.C13H12BrClN4O2.C8H10BrN.C5H3Cl2N3O2/c1-20-17-23(34)18-21(2)26(20)40(31(43)47-33(6,7)8)28-27(41(44)45)25(15-16-38(9)10)36-29(37-28)39(30(42)46-32(3,4)5)24-13-11-22(19-35)12-14-24;1-18-15-21(32)16-19(2)25(18)38(29(40)42-31(6,7)8)26-24-23(13-14-34-24)35-27(36-26)37(28(39)41-30(3,4)5)22-11-9-20(17-33)10-12-22;1-14-11-17(24)12-15(2)20(14)28-22-21(31(32)33)19(9-10-30(3)4)27-23(29-22)26-18-7-5-16(13-25)6-8-18;1-11-8-15(21)9-12(2)17(11)25-19-18(27(28)29)13(3)23-20(26-19)24-16-6-4-14(10-22)5-7-16;1-6-4-9(14)5-7(2)10(6)17-12-11(19(20)21)8(3)16-13(15)18-12;1-5-3-7(9)4-6(2)8(5)10;1-2-3(10(11)12)4(6)9-5(7)8-2/h11-18H,1-10H3;9-16,34H,1-8H3;5-12H,1-4H3,(H2,26,27,28,29);4-9H,1-3H3,(H2,23,24,25,26);4-5H,1-3H3,(H,16,17,18);3-4H,10H2,1-2H3;1H3/b16-15+;;10-9+;;;;
InChIKeyGYLZULGJQJGAHM-WKSFRQCASA-N
XLogP36.87
TPSA692.14 Ų
H-Bond Donors7
H-Bond Acceptors42
Rotatable Bonds27
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003083.55
LogP ≤ 536.87
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-bromo-2,6-dimethylaniline;4-[[4-(4-bromo-2,6-dimethylanilino)-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]amino]benzonitrile;4-[[4-(4-bromo-2,6-dimethylanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzonitrile;N-(4-bromo-2,6-dimethylphenyl)-2-chloro-6-methyl-5-nitropyrimidin-4-amine;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;2,4-dichloro-6-methyl-5-nitropyrimidine with MolForge

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Related Compounds

4-bromo-2,6-dimethylaniline;4-[[4-(4-bromo-2,6-dimethylanilino)-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]amino]benzonitrile;4-[[4-(4-bromo-2,6-dimethylanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzonitrile;N-(4-bromo-2,6-dimethylphenyl)-2-chloro-6-methyl-5-nitropyrimidin-4-amine;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-5H-cyclopenta[d]pyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;2,4-dichloro-6-methyl-5-nitropyrimidine
CID 157336047
tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;tert-butyl N-[2-[4-cyano-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]-N-(2,6-dimethyl-4-pyridin-4-ylphenyl)carbamate;4-[[4-(2,6-dimethyl-4-pyridin-4-ylanilino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;pyridin-4-ylboronic acid
CID 160534063
4-bromo-2,6-dimethylbenzenethiol;4-(4-bromo-2,6-dimethylphenyl)sulfanyl-2-chloro-6-methyl-5-nitropyrimidine;4-[[4-(4-bromo-2,6-dimethylphenyl)sulfanyl-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]amino]benzonitrile;4-[[4-(4-bromo-2,6-dimethylphenyl)sulfanyl-6-methyl-5-nitropyrimidin-2-yl]amino]benzonitrile;tert-butyl N-[4-(4-bromo-2,6-dimethylphenyl)sulfanyl-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;tert-butyl N-[4-(4-bromo-2,6-dimethylphenyl)sulfanyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;2,4-dichloro-6-methyl-5-nitropyrimidine
CID 162041228

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dimethylaniline;4-[[4-(4-bromo-2,6-dimethylanilino)-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]amino]benzonitrile;4-[[4-(4-bromo-2,6-dimethylanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzonitrile;N-(4-bromo-2,6-dimethylphenyl)-2-chloro-6-methyl-5-nitropyrimidin-4-amine;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;2,4-dichloro-6-methyl-5-nitropyrimidine?
The IUPAC name of 4-bromo-2,6-dimethylaniline;4-[[4-(4-bromo-2,6-dimethylanilino)-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]amino]benzonitrile;4-[[4-(4-bromo-2,6-dimethylanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzonitrile;N-(4-bromo-2,6-dimethylphenyl)-2-chloro-6-methyl-5-nitropyrimidin-4-amine;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;2,4-dichloro-6-methyl-5-nitropyrimidine (CID 158404193) is 4-bromo-2,6-dimethylaniline;4-[[4-(4-bromo-2,6-dimethylanilino)-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]amino]benzonitrile;4-[[4-(4-bromo-2,6-dimethylanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzonitrile;N-(4-bromo-2,6-dimethylphenyl)-2-chloro-6-methyl-5-nitropyrimidin-4-amine;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;2,4-dichloro-6-methyl-5-nitropyrimidine.
What is the SMILES notation for 4-bromo-2,6-dimethylaniline;4-[[4-(4-bromo-2,6-dimethylanilino)-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]amino]benzonitrile;4-[[4-(4-bromo-2,6-dimethylanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzonitrile;N-(4-bromo-2,6-dimethylphenyl)-2-chloro-6-methyl-5-nitropyrimidin-4-amine;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;2,4-dichloro-6-methyl-5-nitropyrimidine?
The canonical SMILES for 4-bromo-2,6-dimethylaniline;4-[[4-(4-bromo-2,6-dimethylanilino)-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]amino]benzonitrile;4-[[4-(4-bromo-2,6-dimethylanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzonitrile;N-(4-bromo-2,6-dimethylphenyl)-2-chloro-6-methyl-5-nitropyrimidin-4-amine;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;2,4-dichloro-6-methyl-5-nitropyrimidine is Cc1cc(Br)cc(C)c1N.Cc1cc(Br)cc(C)c1N(C(=O)OC(C)(C)C)c1nc(N(C(=O)OC(C)(C)C)c2ccc(C#N)cc2)nc(/C=C/N(C)C)c1[N+](=O)[O-].Cc1cc(Br)cc(C)c1N(C(=O)OC(C)(C)C)c1nc(N(C(=O)OC(C)(C)C)c2ccc(C#N)cc2)nc2cc[nH]c12.Cc1cc(Br)cc(C)c1Nc1nc(Cl)nc(C)c1[N+](=O)[O-].Cc1cc(Br)cc(C)c1Nc1nc(Nc2ccc(C#N)cc2)nc(/C=C/N(C)C)c1[N+](=O)[O-].Cc1cc(Br)cc(C)c1Nc1nc(Nc2ccc(C#N)cc2)nc(C)c1[N+](=O)[O-].Cc1nc(Cl)nc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 4-bromo-2,6-dimethylaniline;4-[[4-(4-bromo-2,6-dimethylanilino)-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]amino]benzonitrile;4-[[4-(4-bromo-2,6-dimethylanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzonitrile;N-(4-bromo-2,6-dimethylphenyl)-2-chloro-6-methyl-5-nitropyrimidin-4-amine;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;2,4-dichloro-6-methyl-5-nitropyrimidine?
The InChIKey is GYLZULGJQJGAHM-WKSFRQCASA-N. The full InChI is InChI=1S/C33H38BrN7O6.C31H33BrN6O4.C23H22BrN7O2.C20H17BrN6O2.C13H12BrClN4O2.C8H10BrN.C5H3Cl2N3O2/c1-20-17-23(34)18-21(2)26(20)40(31(43)47-33(6,7)8)28-27(41(44)45)25(15-16-38(9)10)36-29(37-28)39(30(42)46-32(3,4)5)24-13-11-22(19-35)12-14-24;1-18-15-21(32)16-19(2)25(18)38(29(40)42-31(6,7)8)26-24-23(13-14-34-24)35-27(36-26)37(28(39)41-30(3,4)5)22-11-9-20(17-33)10-12-22;1-14-11-17(24)12-15(2)20(14)28-22-21(31(32)33)19(9-10-30(3)4)27-23(29-22)26-18-7-5-16(13-25)6-8-18;1-11-8-15(21)9-12(2)17(11)25-19-18(27(28)29)13(3)23-20(26-19)24-16-6-4-14(10-22)5-7-16;1-6-4-9(14)5-7(2)10(6)17-12-11(19(20)21)8(3)16-13(15)18-12;1-5-3-7(9)4-6(2)8(5)10;1-2-3(10(11)12)4(6)9-5(7)8-2/h11-18H,1-10H3;9-16,34H,1-8H3;5-12H,1-4H3,(H2,26,27,28,29);4-9H,1-3H3,(H2,23,24,25,26);4-5H,1-3H3,(H,16,17,18);3-4H,10H2,1-2H3;1H3/b16-15+;;10-9+;;;;.
What are the key properties of 4-bromo-2,6-dimethylaniline;4-[[4-(4-bromo-2,6-dimethylanilino)-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]amino]benzonitrile;4-[[4-(4-bromo-2,6-dimethylanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzonitrile;N-(4-bromo-2,6-dimethylphenyl)-2-chloro-6-methyl-5-nitropyrimidin-4-amine;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;2,4-dichloro-6-methyl-5-nitropyrimidine?
4-bromo-2,6-dimethylaniline;4-[[4-(4-bromo-2,6-dimethylanilino)-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]amino]benzonitrile;4-[[4-(4-bromo-2,6-dimethylanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzonitrile;N-(4-bromo-2,6-dimethylphenyl)-2-chloro-6-methyl-5-nitropyrimidin-4-amine;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;2,4-dichloro-6-methyl-5-nitropyrimidine has a molecular weight of 3083.55 g/mol, XLogP of 36.87, 27 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dimethylaniline;4-[[4-(4-bromo-2,6-dimethylanilino)-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]amino]benzonitrile;4-[[4-(4-bromo-2,6-dimethylanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzonitrile;N-(4-bromo-2,6-dimethylphenyl)-2-chloro-6-methyl-5-nitropyrimidin-4-amine;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;tert-butyl N-[4-[4-bromo-2,6-dimethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-(4-cyanophenyl)carbamate;2,4-dichloro-6-methyl-5-nitropyrimidine is sourced from PubChem (CID 158404193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).