N-[2-(3-amino-4-methoxyphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide;2-N-[5-(1-amino-2-methylpropan-2-yl)-2-methoxyphenyl]-5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[2-[3-[[5-chloro-4-(5-fluoro-2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-methylpropyl]-2,2,2-trifluoroacetamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

C76H88Cl3F9N16O11S3 — CID 158282182

About N-[2-(3-amino-4-methoxyphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide;2-N-[5-(1-amino-2-methylpropan-2-yl)-2-methoxyphenyl]-5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[2-[3-[[5-chloro-4-(5-fluoro-2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-methylpropyl]-2,2,2-trifluoroacetamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

N-[2-(3-amino-4-methoxyphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide;2-N-[5-(1-amino-2-methylpropan-2-yl)-2-methoxyphenyl]-5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[2-[3-[[5-chloro-4-(5-fluoro-2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-methylpropyl]-2,2,2-trifluoroacetamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (PubChem CID 158282182) has the molecular formula C76H88Cl3F9N16O11S3 and a molecular weight of 1775.18 g/mol. Its IUPAC name is N-[2-(3-amino-4-methoxyphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide;2-N-[5-(1-amino-2-methylpropan-2-yl)-2-methoxyphenyl]-5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[2-[3-[[5-chloro-4-(5-fluoro-2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-methylpropyl]-2,2,2-trifluoroacetamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: N-[2-(3-amino-4-methoxyphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide;2-N-[5-(1-amino-2-methylpropan-2-yl)-2-methoxyphenyl]-5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[2-[3-[[5-chloro-4-(5-fluoro-2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-methylpropyl]-2,2,2-trifluoroacetamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
• PubChem CID: 158282182
• Molecular Formula: C76H88Cl3F9N16O11S3
• Molecular Weight: 1775.18 g/mol
• Exact Mass: 1772.49
• IUPAC Name: N-[2-(3-amino-4-methoxyphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide;2-N-[5-(1-amino-2-methylpropan-2-yl)-2-methoxyphenyl]-5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[2-[3-[[5-chloro-4-(5-fluoro-2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-methylpropyl]-2,2,2-trifluoroacetamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
• SMILES: CC(C)S(=O)(=O)c1ccc(F)cc1Nc1nc(N)ncc1Cl.COc1ccc(C(C)(C)CN)cc1Nc1ncc(Cl)c(Nc2cc(F)ccc2S(=O)(=O)C(C)C)n1.COc1ccc(C(C)(C)CNC(=O)C(F)(F)F)cc1N.COc1ccc(C(C)(C)CNC(=O)C(F)(F)F)cc1Nc1ncc(Cl)c(Nc2cc(F)ccc2S(=O)(=O)C(C)C)n1
• InChI: InChI=1S/C26H28ClF4N5O4S.C24H29ClFN5O3S.C13H14ClFN4O2S.C13H17F3N2O2/c1-14(2)41(38,39)21-9-7-16(28)11-19(21)34-22-17(27)12-32-24(36-22)35-18-10-15(6-8-20(18)40-5)25(3,4)13-33-23(37)26(29,30)31;1-14(2)35(32,33)21-9-7-16(26)11-19(21)29-22-17(25)12-28-23(31-22)30-18-10-15(24(3,4)13-27)6-8-20(18)34-5;1-7(2)22(20,21)11-4-3-8(15)5-10(11)18-12-9(14)6-17-13(16)19-12;1-12(2,7-18-11(19)13(14,15)16)8-4-5-10(20-3)9(17)6-8/h6-12,14H,13H2,1-5H3,(H,33,37)(H2,32,34,35,36);6-12,14H,13,27H2,1-5H3,(H2,28,29,30,31);3-7H,1-2H3,(H3,16,17,18,19);4-6H,7,17H2,1-3H3,(H,18,19)
• InChIKey: GKIOKPVORQYLHD-UHFFFAOYSA-N
• XLogP: 16.10
• TPSA: 403.86 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 27
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1775.18
LogP ≤ 5	16.10
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-4-methoxyphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide;2-N-[5-(1-amino-2-methylpropan-2-yl)-2-methoxyphenyl]-5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[2-[3-[[5-chloro-4-(5-fluoro-2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-methylpropyl]-2,2,2-trifluoroacetamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

The IUPAC name of N-[2-(3-amino-4-methoxyphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide;2-N-[5-(1-amino-2-methylpropan-2-yl)-2-methoxyphenyl]-5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[2-[3-[[5-chloro-4-(5-fluoro-2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-methylpropyl]-2,2,2-trifluoroacetamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (CID 158282182) is N-[2-(3-amino-4-methoxyphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide;2-N-[5-(1-amino-2-methylpropan-2-yl)-2-methoxyphenyl]-5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[2-[3-[[5-chloro-4-(5-fluoro-2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-methylpropyl]-2,2,2-trifluoroacetamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.

What is the SMILES notation for N-[2-(3-amino-4-methoxyphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide;2-N-[5-(1-amino-2-methylpropan-2-yl)-2-methoxyphenyl]-5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[2-[3-[[5-chloro-4-(5-fluoro-2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-methylpropyl]-2,2,2-trifluoroacetamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

The canonical SMILES for N-[2-(3-amino-4-methoxyphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide;2-N-[5-(1-amino-2-methylpropan-2-yl)-2-methoxyphenyl]-5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[2-[3-[[5-chloro-4-(5-fluoro-2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-methylpropyl]-2,2,2-trifluoroacetamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is CC(C)S(=O)(=O)c1ccc(F)cc1Nc1nc(N)ncc1Cl.COc1ccc(C(C)(C)CN)cc1Nc1ncc(Cl)c(Nc2cc(F)ccc2S(=O)(=O)C(C)C)n1.COc1ccc(C(C)(C)CNC(=O)C(F)(F)F)cc1N.COc1ccc(C(C)(C)CNC(=O)C(F)(F)F)cc1Nc1ncc(Cl)c(Nc2cc(F)ccc2S(=O)(=O)C(C)C)n1.

What is the InChIKey of N-[2-(3-amino-4-methoxyphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide;2-N-[5-(1-amino-2-methylpropan-2-yl)-2-methoxyphenyl]-5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[2-[3-[[5-chloro-4-(5-fluoro-2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-methylpropyl]-2,2,2-trifluoroacetamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

The InChIKey is GKIOKPVORQYLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClF4N5O4S.C24H29ClFN5O3S.C13H14ClFN4O2S.C13H17F3N2O2/c1-14(2)41(38,39)21-9-7-16(28)11-19(21)34-22-17(27)12-32-24(36-22)35-18-10-15(6-8-20(18)40-5)25(3,4)13-33-23(37)26(29,30)31;1-14(2)35(32,33)21-9-7-16(26)11-19(21)29-22-17(25)12-28-23(31-22)30-18-10-15(24(3,4)13-27)6-8-20(18)34-5;1-7(2)22(20,21)11-4-3-8(15)5-10(11)18-12-9(14)6-17-13(16)19-12;1-12(2,7-18-11(19)13(14,15)16)8-4-5-10(20-3)9(17)6-8/h6-12,14H,13H2,1-5H3,(H,33,37)(H2,32,34,35,36);6-12,14H,13,27H2,1-5H3,(H2,28,29,30,31);3-7H,1-2H3,(H3,16,17,18,19);4-6H,7,17H2,1-3H3,(H,18,19).

What are the key properties of N-[2-(3-amino-4-methoxyphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide;2-N-[5-(1-amino-2-methylpropan-2-yl)-2-methoxyphenyl]-5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[2-[3-[[5-chloro-4-(5-fluoro-2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-methylpropyl]-2,2,2-trifluoroacetamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

N-[2-(3-amino-4-methoxyphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide;2-N-[5-(1-amino-2-methylpropan-2-yl)-2-methoxyphenyl]-5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[2-[3-[[5-chloro-4-(5-fluoro-2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-methylpropyl]-2,2,2-trifluoroacetamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine has a molecular weight of 1775.18 g/mol, XLogP of 16.10, 27 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-amino-4-methoxyphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide;2-N-[5-(1-amino-2-methylpropan-2-yl)-2-methoxyphenyl]-5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[2-[3-[[5-chloro-4-(5-fluoro-2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-methylpropyl]-2,2,2-trifluoroacetamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 158282182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).