2-N-[5-(2-aminoethyl)-2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-[5-amino-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]-1,1,1-trifluoropentan-2-one;N-[2-[5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine

C83H90Cl4F6N20O11S3 — CID 159496243

About 2-N-[5-(2-aminoethyl)-2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-[5-amino-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]-1,1,1-trifluoropentan-2-one;N-[2-[5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine

2-N-[5-(2-aminoethyl)-2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-[5-amino-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]-1,1,1-trifluoropentan-2-one;N-[2-[5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine (PubChem CID 159496243) has the molecular formula C83H90Cl4F6N20O11S3 and a molecular weight of 1895.76 g/mol. Its IUPAC name is 2-N-[5-(2-aminoethyl)-2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-[5-amino-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]-1,1,1-trifluoropentan-2-one;N-[2-[5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-N-[5-(2-aminoethyl)-2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-[5-amino-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]-1,1,1-trifluoropentan-2-one;N-[2-[5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
• PubChem CID: 159496243
• Molecular Formula: C83H90Cl4F6N20O11S3
• Molecular Weight: 1895.76 g/mol
• Exact Mass: 1892.49
• IUPAC Name: 2-N-[5-(2-aminoethyl)-2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-[5-amino-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]-1,1,1-trifluoropentan-2-one;N-[2-[5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
• SMILES: CC(C)S(=O)(=O)c1ccccc1Nc1nc(Cl)ncc1Cl.COc1cc(-c2cnn(C)c2)c(CCCC(=O)C(F)(F)F)cc1N.COc1cc(-c2cnn(C)c2)c(CCN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1.COc1cc(-c2cnn(C)c2)c(CCNC(=O)C(F)(F)F)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
• InChI: InChI=1S/C28H29ClF3N7O4S.C26H30ClN7O3S.C16H18F3N3O2.C13H13Cl2N3O2S/c1-16(2)44(41,42)24-8-6-5-7-21(24)36-25-20(29)14-34-27(38-25)37-22-11-17(9-10-33-26(40)28(30,31)32)19(12-23(22)43-4)18-13-35-39(3)15-18;1-16(2)38(35,36)24-8-6-5-7-21(24)31-25-20(27)14-29-26(33-25)32-22-11-17(9-10-28)19(12-23(22)37-4)18-13-30-34(3)15-18;1-22-9-11(8-21-22)12-7-14(24-2)13(20)6-10(12)4-3-5-15(23)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/h5-8,11-16H,9-10H2,1-4H3,(H,33,40)(H2,34,36,37,38);5-8,11-16H,9-10,28H2,1-4H3,(H2,29,31,32,33);6-9H,3-5,20H2,1-2H3;3-8H,1-2H3,(H,16,17,18)
• InChIKey: LYUYHUYYJRUBBT-UHFFFAOYSA-N
• XLogP: 16.98
• TPSA: 419.27 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 31
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1895.76
LogP ≤ 5	16.98
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-[5-(2-aminoethyl)-2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-[5-amino-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]-1,1,1-trifluoropentan-2-one;N-[2-[5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?

The IUPAC name of 2-N-[5-(2-aminoethyl)-2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-[5-amino-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]-1,1,1-trifluoropentan-2-one;N-[2-[5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine (CID 159496243) is 2-N-[5-(2-aminoethyl)-2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-[5-amino-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]-1,1,1-trifluoropentan-2-one;N-[2-[5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine.

What is the SMILES notation for 2-N-[5-(2-aminoethyl)-2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-[5-amino-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]-1,1,1-trifluoropentan-2-one;N-[2-[5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?

The canonical SMILES for 2-N-[5-(2-aminoethyl)-2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-[5-amino-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]-1,1,1-trifluoropentan-2-one;N-[2-[5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine is CC(C)S(=O)(=O)c1ccccc1Nc1nc(Cl)ncc1Cl.COc1cc(-c2cnn(C)c2)c(CCCC(=O)C(F)(F)F)cc1N.COc1cc(-c2cnn(C)c2)c(CCN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1.COc1cc(-c2cnn(C)c2)c(CCNC(=O)C(F)(F)F)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1.

What is the InChIKey of 2-N-[5-(2-aminoethyl)-2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-[5-amino-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]-1,1,1-trifluoropentan-2-one;N-[2-[5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?

The InChIKey is LYUYHUYYJRUBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClF3N7O4S.C26H30ClN7O3S.C16H18F3N3O2.C13H13Cl2N3O2S/c1-16(2)44(41,42)24-8-6-5-7-21(24)36-25-20(29)14-34-27(38-25)37-22-11-17(9-10-33-26(40)28(30,31)32)19(12-23(22)43-4)18-13-35-39(3)15-18;1-16(2)38(35,36)24-8-6-5-7-21(24)31-25-20(27)14-29-26(33-25)32-22-11-17(9-10-28)19(12-23(22)37-4)18-13-30-34(3)15-18;1-22-9-11(8-21-22)12-7-14(24-2)13(20)6-10(12)4-3-5-15(23)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/h5-8,11-16H,9-10H2,1-4H3,(H,33,40)(H2,34,36,37,38);5-8,11-16H,9-10,28H2,1-4H3,(H2,29,31,32,33);6-9H,3-5,20H2,1-2H3;3-8H,1-2H3,(H,16,17,18).

What are the key properties of 2-N-[5-(2-aminoethyl)-2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-[5-amino-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]-1,1,1-trifluoropentan-2-one;N-[2-[5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?

2-N-[5-(2-aminoethyl)-2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-[5-amino-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]-1,1,1-trifluoropentan-2-one;N-[2-[5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine has a molecular weight of 1895.76 g/mol, XLogP of 16.98, 31 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[5-(2-aminoethyl)-2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-[5-amino-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]-1,1,1-trifluoropentan-2-one;N-[2-[5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxy-2-(1-methylpyrazol-4-yl)phenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 159496243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).