6-amino-2-(2,5-difluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyano-2,5-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,4,5-trifluorophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylate

C81H53Cl4F18N15O13 — CID 159976691

About 6-amino-2-(2,5-difluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyano-2,5-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,4,5-trifluorophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylate

6-amino-2-(2,5-difluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyano-2,5-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,4,5-trifluorophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylate (PubChem CID 159976691) has the molecular formula C81H53Cl4F18N15O13 and a molecular weight of 1928.18 g/mol. Its IUPAC name is 6-amino-2-(2,5-difluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyano-2,5-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,4,5-trifluorophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylate.

Molecular Properties

• Compound Name: 6-amino-2-(2,5-difluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyano-2,5-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,4,5-trifluorophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylate
• PubChem CID: 159976691
• Molecular Formula: C81H53Cl4F18N15O13
• Molecular Weight: 1928.18 g/mol
• Exact Mass: 1925.24
• IUPAC Name: 6-amino-2-(2,5-difluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyano-2,5-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,4,5-trifluorophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylate
• SMILES: C=Cc1c(N)nc(-c2ccc(F)c(F)c2F)nc1C(=O)OC.COC(=O)c1nc(-c2cc(F)c(C#N)cc2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2cc(F)c(F)cc2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(C(F)F)c(F)c2)cc(N)c1Cl.COC(=O)c1nc(-c2cccc(F)c2F)c(F)c(N)c1Cl.COc1c(N)nc(-c2cc(F)c(C)cc2F)nc1C(=O)O
• InChI: InChI=1S/C14H7ClF3N3O2.C14H10ClF3N2O2.C14H10F3N3O2.C13H7ClF4N2O2.C13H8ClF3N2O2.C13H11F2N3O3/c1-23-14(22)13-9(15)11(20)10(18)12(21-13)6-3-7(16)5(4-19)2-8(6)17;1-22-14(21)12-11(15)9(19)5-10(20-12)6-2-3-7(13(17)18)8(16)4-6;1-3-6-11(14(21)22-2)19-13(20-12(6)18)7-4-5-8(15)10(17)9(7)16;1-22-13(21)12-8(14)10(19)9(18)11(20-12)4-2-6(16)7(17)3-5(4)15;1-21-13(20)12-7(14)10(18)9(17)11(19-12)5-3-2-4-6(15)8(5)16;1-5-3-8(15)6(4-7(5)14)12-17-9(13(19)20)10(21-2)11(16)18-12/h2-3H,1H3,(H2,20,21);2-5,13H,1H3,(H2,19,20);3-5H,1H2,2H3,(H2,18,19,20);2-3H,1H3,(H2,19,20);2-4H,1H3,(H2,18,19);3-4H,1-2H3,(H,19,20)(H2,16,17,18)
• InChIKey: OFGBXERWOAZZSO-UHFFFAOYSA-N
• XLogP: 18.01
• TPSA: 461.06 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 15
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1928.18
LogP ≤ 5	18.01
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2,5-difluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyano-2,5-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,4,5-trifluorophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylate?

The IUPAC name of 6-amino-2-(2,5-difluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyano-2,5-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,4,5-trifluorophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylate (CID 159976691) is 6-amino-2-(2,5-difluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyano-2,5-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,4,5-trifluorophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylate.

What is the SMILES notation for 6-amino-2-(2,5-difluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyano-2,5-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,4,5-trifluorophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylate?

The canonical SMILES for 6-amino-2-(2,5-difluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyano-2,5-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,4,5-trifluorophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylate is C=Cc1c(N)nc(-c2ccc(F)c(F)c2F)nc1C(=O)OC.COC(=O)c1nc(-c2cc(F)c(C#N)cc2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2cc(F)c(F)cc2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(C(F)F)c(F)c2)cc(N)c1Cl.COC(=O)c1nc(-c2cccc(F)c2F)c(F)c(N)c1Cl.COc1c(N)nc(-c2cc(F)c(C)cc2F)nc1C(=O)O.

What is the InChIKey of 6-amino-2-(2,5-difluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyano-2,5-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,4,5-trifluorophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylate?

The InChIKey is OFGBXERWOAZZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF3N3O2.C14H10ClF3N2O2.C14H10F3N3O2.C13H7ClF4N2O2.C13H8ClF3N2O2.C13H11F2N3O3/c1-23-14(22)13-9(15)11(20)10(18)12(21-13)6-3-7(16)5(4-19)2-8(6)17;1-22-14(21)12-11(15)9(19)5-10(20-12)6-2-3-7(13(17)18)8(16)4-6;1-3-6-11(14(21)22-2)19-13(20-12(6)18)7-4-5-8(15)10(17)9(7)16;1-22-13(21)12-8(14)10(19)9(18)11(20-12)4-2-6(16)7(17)3-5(4)15;1-21-13(20)12-7(14)10(18)9(17)11(19-12)5-3-2-4-6(15)8(5)16;1-5-3-8(15)6(4-7(5)14)12-17-9(13(19)20)10(21-2)11(16)18-12/h2-3H,1H3,(H2,20,21);2-5,13H,1H3,(H2,19,20);3-5H,1H2,2H3,(H2,18,19,20);2-3H,1H3,(H2,19,20);2-4H,1H3,(H2,18,19);3-4H,1-2H3,(H,19,20)(H2,16,17,18).

What are the key properties of 6-amino-2-(2,5-difluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyano-2,5-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,4,5-trifluorophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylate?

6-amino-2-(2,5-difluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyano-2,5-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,4,5-trifluorophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylate has a molecular weight of 1928.18 g/mol, XLogP of 18.01, 15 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-(2,5-difluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyano-2,5-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,4,5-trifluorophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylate is sourced from PubChem (CID 159976691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).