N-(6-amino-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)-2,2,2-trifluoroacetamide;N-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine

C56H63Cl3F6N10O8S2 — CID 158321148

About N-(6-amino-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)-2,2,2-trifluoroacetamide;N-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine

N-(6-amino-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)-2,2,2-trifluoroacetamide;N-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine (PubChem CID 158321148) has the molecular formula C56H63Cl3F6N10O8S2 and a molecular weight of 1288.66 g/mol. Its IUPAC name is N-(6-amino-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)-2,2,2-trifluoroacetamide;N-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-(6-amino-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)-2,2,2-trifluoroacetamide;N-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
• PubChem CID: 158321148
• Molecular Formula: C56H63Cl3F6N10O8S2
• Molecular Weight: 1288.66 g/mol
• Exact Mass: 1286.32
• IUPAC Name: N-(6-amino-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)-2,2,2-trifluoroacetamide;N-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
• SMILES: CC(C)S(=O)(=O)c1ccccc1Nc1nc(Cl)ncc1Cl.COc1cc2c(cc1N)CCC(NC(=O)C(F)(F)F)C2(C)C.COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCC(NC(=O)C(F)(F)F)C2(C)C
• InChI: InChI=1S/C28H31ClF3N5O4S.C15H19F3N2O2.C13H13Cl2N3O2S/c1-15(2)42(39,40)22-9-7-6-8-19(22)34-24-18(29)14-33-26(37-24)35-20-12-16-10-11-23(36-25(38)28(30,31)32)27(3,4)17(16)13-21(20)41-5;1-14(2)9-7-11(22-3)10(19)6-8(9)4-5-12(14)20-13(21)15(16,17)18;1-8(2)21(19,20)11-6-4-3-5-10(11)17-12-9(14)7-16-13(15)18-12/h6-9,12-15,23H,10-11H2,1-5H3,(H,36,38)(H2,33,34,35,37);6-7,12H,4-5,19H2,1-3H3,(H,20,21);3-8H,1-2H3,(H,16,17,18)
• InChIKey: GOWDGYJKOGAQHZ-UHFFFAOYSA-N
• XLogP: 12.34
• TPSA: 258.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1288.66
LogP ≤ 5	12.34
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)-2,2,2-trifluoroacetamide;N-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?

The IUPAC name of N-(6-amino-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)-2,2,2-trifluoroacetamide;N-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine (CID 158321148) is N-(6-amino-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)-2,2,2-trifluoroacetamide;N-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine.

What is the SMILES notation for N-(6-amino-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)-2,2,2-trifluoroacetamide;N-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?

The canonical SMILES for N-(6-amino-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)-2,2,2-trifluoroacetamide;N-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine is CC(C)S(=O)(=O)c1ccccc1Nc1nc(Cl)ncc1Cl.COc1cc2c(cc1N)CCC(NC(=O)C(F)(F)F)C2(C)C.COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCC(NC(=O)C(F)(F)F)C2(C)C.

What is the InChIKey of N-(6-amino-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)-2,2,2-trifluoroacetamide;N-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?

The InChIKey is GOWDGYJKOGAQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClF3N5O4S.C15H19F3N2O2.C13H13Cl2N3O2S/c1-15(2)42(39,40)22-9-7-6-8-19(22)34-24-18(29)14-33-26(37-24)35-20-12-16-10-11-23(36-25(38)28(30,31)32)27(3,4)17(16)13-21(20)41-5;1-14(2)9-7-11(22-3)10(19)6-8(9)4-5-12(14)20-13(21)15(16,17)18;1-8(2)21(19,20)11-6-4-3-5-10(11)17-12-9(14)7-16-13(15)18-12/h6-9,12-15,23H,10-11H2,1-5H3,(H,36,38)(H2,33,34,35,37);6-7,12H,4-5,19H2,1-3H3,(H,20,21);3-8H,1-2H3,(H,16,17,18).

What are the key properties of N-(6-amino-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)-2,2,2-trifluoroacetamide;N-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?

N-(6-amino-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)-2,2,2-trifluoroacetamide;N-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine has a molecular weight of 1288.66 g/mol, XLogP of 12.34, 14 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)-2,2,2-trifluoroacetamide;N-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-7-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]-2,2,2-trifluoroacetamide;2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 158321148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).