potassium;N-[2-(ethylamino)-4,5-difluorophenyl]-4-methylpyrimidine-5-carboxamide;2-N-ethyl-4,5-difluorobenzene-1,2-diamine;1-ethyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium;4-(trifluoromethyl)pyrimidine-5-carboxylic acid

C46H49F9K3N12O8P — CID 159341754

About potassium;N-[2-(ethylamino)-4,5-difluorophenyl]-4-methylpyrimidine-5-carboxamide;2-N-ethyl-4,5-difluorobenzene-1,2-diamine;1-ethyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium;4-(trifluoromethyl)pyrimidine-5-carboxylic acid

potassium;N-[2-(ethylamino)-4,5-difluorophenyl]-4-methylpyrimidine-5-carboxamide;2-N-ethyl-4,5-difluorobenzene-1,2-diamine;1-ethyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium;4-(trifluoromethyl)pyrimidine-5-carboxylic acid (PubChem CID 159341754) has the molecular formula C46H49F9K3N12O8P and a molecular weight of 1217.22 g/mol. Its IUPAC name is potassium;N-[2-(ethylamino)-4,5-difluorophenyl]-4-methylpyrimidine-5-carboxamide;2-N-ethyl-4,5-difluorobenzene-1,2-diamine;1-ethyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium;4-(trifluoromethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

• Compound Name: potassium;N-[2-(ethylamino)-4,5-difluorophenyl]-4-methylpyrimidine-5-carboxamide;2-N-ethyl-4,5-difluorobenzene-1,2-diamine;1-ethyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium;4-(trifluoromethyl)pyrimidine-5-carboxylic acid
• PubChem CID: 159341754
• Molecular Formula: C46H49F9K3N12O8P
• Molecular Weight: 1217.22 g/mol
• Exact Mass: 1216.23
• IUPAC Name: potassium;N-[2-(ethylamino)-4,5-difluorophenyl]-4-methylpyrimidine-5-carboxamide;2-N-ethyl-4,5-difluorobenzene-1,2-diamine;1-ethyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium;4-(trifluoromethyl)pyrimidine-5-carboxylic acid
• SMILES: CC(C)(C)O.CCNc1cc(F)c(F)cc1N.CCNc1cc(F)c(F)cc1NC(=O)c1cncnc1C.CCn1c(-c2cncnc2C)nc2cc(F)c(F)cc21.O=C(O)c1cncnc1C(F)(F)F.O=[P+]([O-])O[O-].[K+].[K][K]
• InChI: InChI=1S/C14H14F2N4O.C14H12F2N4.C8H10F2N2.C6H3F3N2O2.C4H10O.3K.HO4P/c1-3-18-12-4-10(15)11(16)5-13(12)20-14(21)9-6-17-7-19-8(9)2;1-3-20-13-5-11(16)10(15)4-12(13)19-14(20)9-6-17-7-18-8(9)2;1-2-12-8-4-6(10)5(9)3-7(8)11;7-6(8,9)4-3(5(12)13)1-10-2-11-4;1-4(2,3)5;;;;1-4-5(2)3/h4-7,18H,3H2,1-2H3,(H,20,21);4-7H,3H2,1-2H3;3-4,12H,2,11H2,1H3;1-2H,(H,12,13);5H,1-3H3;;;;1H/q;;;;;;;+1;/p-1
• InChIKey: LGFNFAVPNYBODG-UHFFFAOYSA-M
• XLogP: 4.34
• TPSA: 304.29 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1217.22
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;N-[2-(ethylamino)-4,5-difluorophenyl]-4-methylpyrimidine-5-carboxamide;2-N-ethyl-4,5-difluorobenzene-1,2-diamine;1-ethyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium;4-(trifluoromethyl)pyrimidine-5-carboxylic acid?

The IUPAC name of potassium;N-[2-(ethylamino)-4,5-difluorophenyl]-4-methylpyrimidine-5-carboxamide;2-N-ethyl-4,5-difluorobenzene-1,2-diamine;1-ethyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium;4-(trifluoromethyl)pyrimidine-5-carboxylic acid (CID 159341754) is potassium;N-[2-(ethylamino)-4,5-difluorophenyl]-4-methylpyrimidine-5-carboxamide;2-N-ethyl-4,5-difluorobenzene-1,2-diamine;1-ethyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium;4-(trifluoromethyl)pyrimidine-5-carboxylic acid.

What is the SMILES notation for potassium;N-[2-(ethylamino)-4,5-difluorophenyl]-4-methylpyrimidine-5-carboxamide;2-N-ethyl-4,5-difluorobenzene-1,2-diamine;1-ethyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium;4-(trifluoromethyl)pyrimidine-5-carboxylic acid?

The canonical SMILES for potassium;N-[2-(ethylamino)-4,5-difluorophenyl]-4-methylpyrimidine-5-carboxamide;2-N-ethyl-4,5-difluorobenzene-1,2-diamine;1-ethyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium;4-(trifluoromethyl)pyrimidine-5-carboxylic acid is CC(C)(C)O.CCNc1cc(F)c(F)cc1N.CCNc1cc(F)c(F)cc1NC(=O)c1cncnc1C.CCn1c(-c2cncnc2C)nc2cc(F)c(F)cc21.O=C(O)c1cncnc1C(F)(F)F.O=[P+]([O-])O[O-].[K+].[K][K].

What is the InChIKey of potassium;N-[2-(ethylamino)-4,5-difluorophenyl]-4-methylpyrimidine-5-carboxamide;2-N-ethyl-4,5-difluorobenzene-1,2-diamine;1-ethyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium;4-(trifluoromethyl)pyrimidine-5-carboxylic acid?

The InChIKey is LGFNFAVPNYBODG-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H14F2N4O.C14H12F2N4.C8H10F2N2.C6H3F3N2O2.C4H10O.3K.HO4P/c1-3-18-12-4-10(15)11(16)5-13(12)20-14(21)9-6-17-7-19-8(9)2;1-3-20-13-5-11(16)10(15)4-12(13)19-14(20)9-6-17-7-18-8(9)2;1-2-12-8-4-6(10)5(9)3-7(8)11;7-6(8,9)4-3(5(12)13)1-10-2-11-4;1-4(2,3)5;;;;1-4-5(2)3/h4-7,18H,3H2,1-2H3,(H,20,21);4-7H,3H2,1-2H3;3-4,12H,2,11H2,1H3;1-2H,(H,12,13);5H,1-3H3;;;;1H/q;;;;;;;+1;/p-1.

What are the key properties of potassium;N-[2-(ethylamino)-4,5-difluorophenyl]-4-methylpyrimidine-5-carboxamide;2-N-ethyl-4,5-difluorobenzene-1,2-diamine;1-ethyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium;4-(trifluoromethyl)pyrimidine-5-carboxylic acid?

potassium;N-[2-(ethylamino)-4,5-difluorophenyl]-4-methylpyrimidine-5-carboxamide;2-N-ethyl-4,5-difluorobenzene-1,2-diamine;1-ethyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium;4-(trifluoromethyl)pyrimidine-5-carboxylic acid has a molecular weight of 1217.22 g/mol, XLogP of 4.34, 10 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;N-[2-(ethylamino)-4,5-difluorophenyl]-4-methylpyrimidine-5-carboxamide;2-N-ethyl-4,5-difluorobenzene-1,2-diamine;1-ethyl-5,6-difluoro-2-(4-methylpyrimidin-5-yl)benzimidazole;2-methylpropan-2-ol;oxido-oxidooxy-oxophosphanium;potassiopotassium;4-(trifluoromethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 159341754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).