2-N-[5-(2-aminoethyl)-2-methoxyphenyl]-5-chloro-4-N-(4-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[2-(3-amino-4-methoxyphenyl)ethyl]-2,2,2-trifluoroacetamide;N-[2-[3-[[5-chloro-4-(4-fluoro-2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(4-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine

C70H74Cl4F9N15O11S3 — CID 158111534

About 2-N-[5-(2-aminoethyl)-2-methoxyphenyl]-5-chloro-4-N-(4-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[2-(3-amino-4-methoxyphenyl)ethyl]-2,2,2-trifluoroacetamide;N-[2-[3-[[5-chloro-4-(4-fluoro-2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(4-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine

2-N-[5-(2-aminoethyl)-2-methoxyphenyl]-5-chloro-4-N-(4-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[2-(3-amino-4-methoxyphenyl)ethyl]-2,2,2-trifluoroacetamide;N-[2-[3-[[5-chloro-4-(4-fluoro-2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(4-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine (PubChem CID 158111534) has the molecular formula C70H74Cl4F9N15O11S3 and a molecular weight of 1710.45 g/mol. Its IUPAC name is 2-N-[5-(2-aminoethyl)-2-methoxyphenyl]-5-chloro-4-N-(4-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[2-(3-amino-4-methoxyphenyl)ethyl]-2,2,2-trifluoroacetamide;N-[2-[3-[[5-chloro-4-(4-fluoro-2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(4-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-N-[5-(2-aminoethyl)-2-methoxyphenyl]-5-chloro-4-N-(4-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[2-(3-amino-4-methoxyphenyl)ethyl]-2,2,2-trifluoroacetamide;N-[2-[3-[[5-chloro-4-(4-fluoro-2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(4-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
• PubChem CID: 158111534
• Molecular Formula: C70H74Cl4F9N15O11S3
• Molecular Weight: 1710.45 g/mol
• Exact Mass: 1707.35
• IUPAC Name: 2-N-[5-(2-aminoethyl)-2-methoxyphenyl]-5-chloro-4-N-(4-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[2-(3-amino-4-methoxyphenyl)ethyl]-2,2,2-trifluoroacetamide;N-[2-[3-[[5-chloro-4-(4-fluoro-2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(4-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
• SMILES: CC(C)S(=O)(=O)c1cc(F)ccc1Nc1nc(Cl)ncc1Cl.COc1ccc(CCN)cc1Nc1ncc(Cl)c(Nc2ccc(F)cc2S(=O)(=O)C(C)C)n1.COc1ccc(CCNC(=O)C(F)(F)F)cc1N.COc1ccc(CCNC(=O)C(F)(F)F)cc1Nc1ncc(Cl)c(Nc2ccc(F)cc2S(=O)(=O)C(C)C)n1
• InChI: InChI=1S/C24H24ClF4N5O4S.C22H25ClFN5O3S.C13H12Cl2FN3O2S.C11H13F3N2O2/c1-13(2)39(36,37)20-11-15(26)5-6-17(20)32-21-16(25)12-31-23(34-21)33-18-10-14(4-7-19(18)38-3)8-9-30-22(35)24(27,28)29;1-13(2)33(30,31)20-11-15(24)5-6-17(20)27-21-16(23)12-26-22(29-21)28-18-10-14(8-9-25)4-7-19(18)32-3;1-7(2)22(20,21)11-5-8(16)3-4-10(11)18-12-9(14)6-17-13(15)19-12;1-18-9-3-2-7(6-8(9)15)4-5-16-10(17)11(12,13)14/h4-7,10-13H,8-9H2,1-3H3,(H,30,35)(H2,31,32,33,34);4-7,10-13H,8-9,25H2,1-3H3,(H2,26,27,28,29);3-7H,1-2H3,(H,17,18,19);2-3,6H,4-5,15H2,1H3,(H,16,17)
• InChIKey: FQMOEIZSMHELOP-UHFFFAOYSA-N
• XLogP: 14.96
• TPSA: 377.84 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1710.45
LogP ≤ 5	14.96
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 2-N-[5-(2-aminoethyl)-2-methoxyphenyl]-5-chloro-4-N-(4-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[2-(3-amino-4-methoxyphenyl)ethyl]-2,2,2-trifluoroacetamide;N-[2-[3-[[5-chloro-4-(4-fluoro-2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(4-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?

The IUPAC name of 2-N-[5-(2-aminoethyl)-2-methoxyphenyl]-5-chloro-4-N-(4-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[2-(3-amino-4-methoxyphenyl)ethyl]-2,2,2-trifluoroacetamide;N-[2-[3-[[5-chloro-4-(4-fluoro-2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(4-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine (CID 158111534) is 2-N-[5-(2-aminoethyl)-2-methoxyphenyl]-5-chloro-4-N-(4-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[2-(3-amino-4-methoxyphenyl)ethyl]-2,2,2-trifluoroacetamide;N-[2-[3-[[5-chloro-4-(4-fluoro-2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(4-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine.

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

The canonical SMILES for 2-N-[5-(2-aminoethyl)-2-methoxyphenyl]-5-chloro-4-N-(4-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[2-(3-amino-4-methoxyphenyl)ethyl]-2,2,2-trifluoroacetamide;N-[2-[3-[[5-chloro-4-(4-fluoro-2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(4-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine is CC(C)S(=O)(=O)c1cc(F)ccc1Nc1nc(Cl)ncc1Cl.COc1ccc(CCN)cc1Nc1ncc(Cl)c(Nc2ccc(F)cc2S(=O)(=O)C(C)C)n1.COc1ccc(CCNC(=O)C(F)(F)F)cc1N.COc1ccc(CCNC(=O)C(F)(F)F)cc1Nc1ncc(Cl)c(Nc2ccc(F)cc2S(=O)(=O)C(C)C)n1.

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

The InChIKey is FQMOEIZSMHELOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF4N5O4S.C22H25ClFN5O3S.C13H12Cl2FN3O2S.C11H13F3N2O2/c1-13(2)39(36,37)20-11-15(26)5-6-17(20)32-21-16(25)12-31-23(34-21)33-18-10-14(4-7-19(18)38-3)8-9-30-22(35)24(27,28)29;1-13(2)33(30,31)20-11-15(24)5-6-17(20)27-21-16(23)12-26-22(29-21)28-18-10-14(8-9-25)4-7-19(18)32-3;1-7(2)22(20,21)11-5-8(16)3-4-10(11)18-12-9(14)6-17-13(15)19-12;1-18-9-3-2-7(6-8(9)15)4-5-16-10(17)11(12,13)14/h4-7,10-13H,8-9H2,1-3H3,(H,30,35)(H2,31,32,33,34);4-7,10-13H,8-9,25H2,1-3H3,(H2,26,27,28,29);3-7H,1-2H3,(H,17,18,19);2-3,6H,4-5,15H2,1H3,(H,16,17).

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

2-N-[5-(2-aminoethyl)-2-methoxyphenyl]-5-chloro-4-N-(4-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[2-(3-amino-4-methoxyphenyl)ethyl]-2,2,2-trifluoroacetamide;N-[2-[3-[[5-chloro-4-(4-fluoro-2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(4-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine has a molecular weight of 1710.45 g/mol, XLogP of 14.96, 27 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[5-(2-aminoethyl)-2-methoxyphenyl]-5-chloro-4-N-(4-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[2-(3-amino-4-methoxyphenyl)ethyl]-2,2,2-trifluoroacetamide;N-[2-[3-[[5-chloro-4-(4-fluoro-2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(4-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 158111534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).