N-[[1-(3-amino-4-methoxyphenyl)cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2-N-[5-[1-(aminomethyl)cyclohexyl]-2-methoxyphenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[[1-[3-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine

C85H101Cl4F6N15O11S3 — CID 157355346

About N-[[1-(3-amino-4-methoxyphenyl)cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2-N-[5-[1-(aminomethyl)cyclohexyl]-2-methoxyphenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[[1-[3-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine

N-[[1-(3-amino-4-methoxyphenyl)cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2-N-[5-[1-(aminomethyl)cyclohexyl]-2-methoxyphenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[[1-[3-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine (PubChem CID 157355346) has the molecular formula C85H101Cl4F6N15O11S3 and a molecular weight of 1860.84 g/mol. Its IUPAC name is N-[[1-(3-amino-4-methoxyphenyl)cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2-N-[5-[1-(aminomethyl)cyclohexyl]-2-methoxyphenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[[1-[3-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[[1-(3-amino-4-methoxyphenyl)cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2-N-[5-[1-(aminomethyl)cyclohexyl]-2-methoxyphenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[[1-[3-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
• PubChem CID: 157355346
• Molecular Formula: C85H101Cl4F6N15O11S3
• Molecular Weight: 1860.84 g/mol
• Exact Mass: 1857.56
• IUPAC Name: N-[[1-(3-amino-4-methoxyphenyl)cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2-N-[5-[1-(aminomethyl)cyclohexyl]-2-methoxyphenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[[1-[3-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
• SMILES: CC(C)S(=O)(=O)c1ccccc1Nc1nc(Cl)ncc1Cl.COc1ccc(C2(CN)CCCCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1.COc1ccc(C2(CNC(=O)C(F)(F)F)CCCCC2)cc1N.COc1ccc(C2(CNC(=O)C(F)(F)F)CCCCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
• InChI: InChI=1S/C29H33ClF3N5O4S.C27H34ClN5O3S.C16H21F3N2O2.C13H13Cl2N3O2S/c1-18(2)43(40,41)24-10-6-5-9-21(24)36-25-20(30)16-34-27(38-25)37-22-15-19(11-12-23(22)42-3)28(13-7-4-8-14-28)17-35-26(39)29(31,32)33;1-18(2)37(34,35)24-10-6-5-9-21(24)31-25-20(28)16-30-26(33-25)32-22-15-19(11-12-23(22)36-3)27(17-29)13-7-4-8-14-27;1-23-13-6-5-11(9-12(13)20)15(7-3-2-4-8-15)10-21-14(22)16(17,18)19;1-8(2)21(19,20)11-6-4-3-5-10(11)17-12-9(14)7-16-13(15)18-12/h5-6,9-12,15-16,18H,4,7-8,13-14,17H2,1-3H3,(H,35,39)(H2,34,36,37,38);5-6,9-12,15-16,18H,4,7-8,13-14,17,29H2,1-3H3,(H2,30,31,32,33);5-6,9H,2-4,7-8,10,20H2,1H3,(H,21,22);3-8H,1-2H3,(H,16,17,18)
• InChIKey: BIAAYZGRPYKOCO-UHFFFAOYSA-N
• XLogP: 19.52
• TPSA: 377.84 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1860.84
LogP ≤ 5	19.52
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-amino-4-methoxyphenyl)cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2-N-[5-[1-(aminomethyl)cyclohexyl]-2-methoxyphenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[[1-[3-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?

The IUPAC name of N-[[1-(3-amino-4-methoxyphenyl)cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2-N-[5-[1-(aminomethyl)cyclohexyl]-2-methoxyphenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[[1-[3-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine (CID 157355346) is N-[[1-(3-amino-4-methoxyphenyl)cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2-N-[5-[1-(aminomethyl)cyclohexyl]-2-methoxyphenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[[1-[3-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine.

What is the SMILES notation for N-[[1-(3-amino-4-methoxyphenyl)cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2-N-[5-[1-(aminomethyl)cyclohexyl]-2-methoxyphenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[[1-[3-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?

The canonical SMILES for N-[[1-(3-amino-4-methoxyphenyl)cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2-N-[5-[1-(aminomethyl)cyclohexyl]-2-methoxyphenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[[1-[3-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine is CC(C)S(=O)(=O)c1ccccc1Nc1nc(Cl)ncc1Cl.COc1ccc(C2(CN)CCCCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1.COc1ccc(C2(CNC(=O)C(F)(F)F)CCCCC2)cc1N.COc1ccc(C2(CNC(=O)C(F)(F)F)CCCCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1.

What is the InChIKey of N-[[1-(3-amino-4-methoxyphenyl)cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2-N-[5-[1-(aminomethyl)cyclohexyl]-2-methoxyphenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[[1-[3-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?

The InChIKey is BIAAYZGRPYKOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClF3N5O4S.C27H34ClN5O3S.C16H21F3N2O2.C13H13Cl2N3O2S/c1-18(2)43(40,41)24-10-6-5-9-21(24)36-25-20(30)16-34-27(38-25)37-22-15-19(11-12-23(22)42-3)28(13-7-4-8-14-28)17-35-26(39)29(31,32)33;1-18(2)37(34,35)24-10-6-5-9-21(24)31-25-20(28)16-30-26(33-25)32-22-15-19(11-12-23(22)36-3)27(17-29)13-7-4-8-14-27;1-23-13-6-5-11(9-12(13)20)15(7-3-2-4-8-15)10-21-14(22)16(17,18)19;1-8(2)21(19,20)11-6-4-3-5-10(11)17-12-9(14)7-16-13(15)18-12/h5-6,9-12,15-16,18H,4,7-8,13-14,17H2,1-3H3,(H,35,39)(H2,34,36,37,38);5-6,9-12,15-16,18H,4,7-8,13-14,17,29H2,1-3H3,(H2,30,31,32,33);5-6,9H,2-4,7-8,10,20H2,1H3,(H,21,22);3-8H,1-2H3,(H,16,17,18).

What are the key properties of N-[[1-(3-amino-4-methoxyphenyl)cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2-N-[5-[1-(aminomethyl)cyclohexyl]-2-methoxyphenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[[1-[3-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?

N-[[1-(3-amino-4-methoxyphenyl)cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2-N-[5-[1-(aminomethyl)cyclohexyl]-2-methoxyphenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[[1-[3-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine has a molecular weight of 1860.84 g/mol, XLogP of 19.52, 27 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(3-amino-4-methoxyphenyl)cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2-N-[5-[1-(aminomethyl)cyclohexyl]-2-methoxyphenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[[1-[3-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 157355346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).