6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3,6-difluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-chloro-3-fluoro-2-methoxyphenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-ethenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate

C81H62Cl6F14N18O17 — CID 158134653

About 6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3,6-difluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-chloro-3-fluoro-2-methoxyphenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-ethenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate

6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3,6-difluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-chloro-3-fluoro-2-methoxyphenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-ethenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate (PubChem CID 158134653) has the molecular formula C81H62Cl6F14N18O17 and a molecular weight of 2038.19 g/mol. Its IUPAC name is 6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3,6-difluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-chloro-3-fluoro-2-methoxyphenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-ethenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate.

Molecular Properties

• Compound Name: 6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3,6-difluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-chloro-3-fluoro-2-methoxyphenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-ethenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate
• PubChem CID: 158134653
• Molecular Formula: C81H62Cl6F14N18O17
• Molecular Weight: 2038.19 g/mol
• Exact Mass: 2034.24
• IUPAC Name: 6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3,6-difluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-chloro-3-fluoro-2-methoxyphenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-ethenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate
• SMILES: C=Cc1c(N)nc(-c2ccc(C(F)(F)F)nc2)nc1C(=O)OC.COC(=O)c1nc(-c2c(F)cc(Cl)c(F)c2C)cc(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)c(F)c2OC)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)c(F)c2OC)nc(N)c1OC.COC(=O)c1nc(-c2ccc(OC(F)F)nc2)c(F)c(N)c1Cl.COc1c(N)nc(-c2ccc(C(F)(F)F)nc2)nc1C(=O)O
• InChI: InChI=1S/C14H10Cl2F2N2O3.C14H10Cl2F2N2O2.C14H13ClFN3O4.C14H11F3N4O2.C13H9ClF3N3O3.C12H9F3N4O3/c1-22-13-5(3-4-6(15)8(13)17)11-9(18)10(19)7(16)12(20-11)14(21)23-2;1-5-10(7(17)3-6(15)12(5)18)9-4-8(19)11(16)13(20-9)14(21)22-2;1-21-10-6(4-5-7(15)8(10)16)13-18-9(14(20)23-3)11(22-2)12(17)19-13;1-3-8-10(13(22)23-2)20-12(21-11(8)18)7-4-5-9(19-6-7)14(15,16)17;1-22-12(21)11-7(14)9(18)8(15)10(20-11)5-2-3-6(19-4-5)23-13(16)17;1-22-8-7(11(20)21)18-10(19-9(8)16)5-2-3-6(17-4-5)12(13,14)15/h3-4H,1-2H3,(H2,19,20);3-4H,1-2H3,(H2,19,20);4-5H,1-3H3,(H2,17,18,19);3-6H,1H2,2H3,(H2,18,20,21);2-4,13H,1H3,(H2,18,20);2-4H,1H3,(H,20,21)(H2,16,18,19)
• InChIKey: FTEXJADVJFRRCM-UHFFFAOYSA-N
• XLogP: 17.37
• TPSA: 525.75 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 19
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2038.19
LogP ≤ 5	17.37
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3,6-difluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-chloro-3-fluoro-2-methoxyphenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-ethenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate?

The IUPAC name of 6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3,6-difluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-chloro-3-fluoro-2-methoxyphenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-ethenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate (CID 158134653) is 6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3,6-difluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-chloro-3-fluoro-2-methoxyphenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-ethenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate.

What is the SMILES notation for 6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3,6-difluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-chloro-3-fluoro-2-methoxyphenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-ethenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate?

The canonical SMILES for 6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3,6-difluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-chloro-3-fluoro-2-methoxyphenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-ethenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate is C=Cc1c(N)nc(-c2ccc(C(F)(F)F)nc2)nc1C(=O)OC.COC(=O)c1nc(-c2c(F)cc(Cl)c(F)c2C)cc(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)c(F)c2OC)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)c(F)c2OC)nc(N)c1OC.COC(=O)c1nc(-c2ccc(OC(F)F)nc2)c(F)c(N)c1Cl.COc1c(N)nc(-c2ccc(C(F)(F)F)nc2)nc1C(=O)O.

What is the InChIKey of 6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3,6-difluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-chloro-3-fluoro-2-methoxyphenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-ethenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate?

The InChIKey is FTEXJADVJFRRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2N2O3.C14H10Cl2F2N2O2.C14H13ClFN3O4.C14H11F3N4O2.C13H9ClF3N3O3.C12H9F3N4O3/c1-22-13-5(3-4-6(15)8(13)17)11-9(18)10(19)7(16)12(20-11)14(21)23-2;1-5-10(7(17)3-6(15)12(5)18)9-4-8(19)11(16)13(20-9)14(21)22-2;1-21-10-6(4-5-7(15)8(10)16)13-18-9(14(20)23-3)11(22-2)12(17)19-13;1-3-8-10(13(22)23-2)20-12(21-11(8)18)7-4-5-9(19-6-7)14(15,16)17;1-22-12(21)11-7(14)9(18)8(15)10(20-11)5-2-3-6(19-4-5)23-13(16)17;1-22-8-7(11(20)21)18-10(19-9(8)16)5-2-3-6(17-4-5)12(13,14)15/h3-4H,1-2H3,(H2,19,20);3-4H,1-2H3,(H2,19,20);4-5H,1-3H3,(H2,17,18,19);3-6H,1H2,2H3,(H2,18,20,21);2-4,13H,1H3,(H2,18,20);2-4H,1H3,(H,20,21)(H2,16,18,19).

What are the key properties of 6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3,6-difluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-chloro-3-fluoro-2-methoxyphenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-ethenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate?

6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3,6-difluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-chloro-3-fluoro-2-methoxyphenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-ethenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate has a molecular weight of 2038.19 g/mol, XLogP of 17.37, 19 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3,6-difluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[6-(difluoromethoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-chloro-3-fluoro-2-methoxyphenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-ethenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate is sourced from PubChem (CID 158134653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).