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

C70H77Cl4F6N15O11S3 — CID 159765145

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

2-N-[5-(2-aminoethyl)-2-methoxyphenyl]-5-chloro-4-N-(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-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine (PubChem CID 159765145) has the molecular formula C70H77Cl4F6N15O11S3 and a molecular weight of 1656.48 g/mol. Its IUPAC name is 2-N-[5-(2-aminoethyl)-2-methoxyphenyl]-5-chloro-4-N-(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-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]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-methoxyphenyl]-5-chloro-4-N-(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-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
• PubChem CID: 159765145
• Molecular Formula: C70H77Cl4F6N15O11S3
• Molecular Weight: 1656.48 g/mol
• Exact Mass: 1653.37
• IUPAC Name: 2-N-[5-(2-aminoethyl)-2-methoxyphenyl]-5-chloro-4-N-(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-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]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.COc1ccc(CCN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1.COc1ccc(CCNC(=O)C(F)(F)F)cc1N.COc1ccc(CCNC(=O)C(F)(F)F)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
• InChI: InChI=1S/C24H25ClF3N5O4S.C22H26ClN5O3S.C13H13Cl2N3O2S.C11H13F3N2O2/c1-14(2)38(35,36)20-7-5-4-6-17(20)31-21-16(25)13-30-23(33-21)32-18-12-15(8-9-19(18)37-3)10-11-29-22(34)24(26,27)28;1-14(2)32(29,30)20-7-5-4-6-17(20)26-21-16(23)13-25-22(28-21)27-18-12-15(10-11-24)8-9-19(18)31-3;1-8(2)21(19,20)11-6-4-3-5-10(11)17-12-9(14)7-16-13(15)18-12;1-18-9-3-2-7(6-8(9)15)4-5-16-10(17)11(12,13)14/h4-9,12-14H,10-11H2,1-3H3,(H,29,34)(H2,30,31,32,33);4-9,12-14H,10-11,24H2,1-3H3,(H2,25,26,27,28);3-8H,1-2H3,(H,16,17,18);2-3,6H,4-5,15H2,1H3,(H,16,17)
• InChIKey: NFKAYTVYGNDKHJ-UHFFFAOYSA-N
• XLogP: 14.55
• TPSA: 377.84 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1656.48
LogP ≤ 5	14.55
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-(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-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]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-methoxyphenyl]-5-chloro-4-N-(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-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine (CID 159765145) is 2-N-[5-(2-aminoethyl)-2-methoxyphenyl]-5-chloro-4-N-(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-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]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-methoxyphenyl]-5-chloro-4-N-(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-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]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-methoxyphenyl]-5-chloro-4-N-(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-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]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.COc1ccc(CCN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1.COc1ccc(CCNC(=O)C(F)(F)F)cc1N.COc1ccc(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-methoxyphenyl]-5-chloro-4-N-(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-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?

The InChIKey is NFKAYTVYGNDKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF3N5O4S.C22H26ClN5O3S.C13H13Cl2N3O2S.C11H13F3N2O2/c1-14(2)38(35,36)20-7-5-4-6-17(20)31-21-16(25)13-30-23(33-21)32-18-12-15(8-9-19(18)37-3)10-11-29-22(34)24(26,27)28;1-14(2)32(29,30)20-7-5-4-6-17(20)26-21-16(23)13-25-22(28-21)27-18-12-15(10-11-24)8-9-19(18)31-3;1-8(2)21(19,20)11-6-4-3-5-10(11)17-12-9(14)7-16-13(15)18-12;1-18-9-3-2-7(6-8(9)15)4-5-16-10(17)11(12,13)14/h4-9,12-14H,10-11H2,1-3H3,(H,29,34)(H2,30,31,32,33);4-9,12-14H,10-11,24H2,1-3H3,(H2,25,26,27,28);3-8H,1-2H3,(H,16,17,18);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-(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-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?

2-N-[5-(2-aminoethyl)-2-methoxyphenyl]-5-chloro-4-N-(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-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine has a molecular weight of 1656.48 g/mol, XLogP of 14.55, 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-(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-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 159765145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).