2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;3-[[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;3-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide;molecular hydrogen

C68H62F23N25O6 — CID 159226508

About 2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;3-[[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;3-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide;molecular hydrogen

2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;3-[[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;3-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide;molecular hydrogen (PubChem CID 159226508) has the molecular formula C68H62F23N25O6 and a molecular weight of 1762.37 g/mol. Its IUPAC name is 2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;3-[[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;3-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;3-[[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;3-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide;molecular hydrogen
• PubChem CID: 159226508
• Molecular Formula: C68H62F23N25O6
• Molecular Weight: 1762.37 g/mol
• Exact Mass: 1761.49
• IUPAC Name: 2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;3-[[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;3-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide;molecular hydrogen
• SMILES: COc1ccc(-c2ncc(F)c(NCC(=O)NCC(F)(F)F)n2)cn1.O=C(CCNc1nc(-c2ccc(F)nc2)ncc1F)NCC(F)(F)F.O=C(CCNc1nc(-c2cccnc2F)ncc1F)NCC(F)(F)F.O=C(CNc1nc(-c2ccc(F)nc2)ncc1F)NCC(F)(F)F.O=C(CNc1nc(-c2cccnc2)ncc1F)NCC(F)(F)F.[H][H].[H][H]
• InChI: InChI=1S/2C14H12F5N5O.C14H13F4N5O2.C13H10F5N5O.C13H11F4N5O.2H2/c15-9-6-22-12(8-1-2-10(16)21-5-8)24-13(9)20-4-3-11(25)23-7-14(17,18)19;15-9-6-22-12(8-2-1-4-20-11(8)16)24-13(9)21-5-3-10(25)23-7-14(17,18)19;1-25-11-3-2-8(4-19-11)12-20-5-9(15)13(23-12)21-6-10(24)22-7-14(16,17)18;14-8-4-20-11(7-1-2-9(15)19-3-7)23-12(8)21-5-10(24)22-6-13(16,17)18;14-9-5-19-11(8-2-1-3-18-4-8)22-12(9)20-6-10(23)21-7-13(15,16)17;;/h1-2,5-6H,3-4,7H2,(H,23,25)(H,20,22,24);1-2,4,6H,3,5,7H2,(H,23,25)(H,21,22,24);2-5H,6-7H2,1H3,(H,22,24)(H,20,21,23);1-4H,5-6H2,(H,22,24)(H,20,21,23);1-5H,6-7H2,(H,21,23)(H,19,20,22);2*1H
• InChIKey: KSIUZAUSHFCFSD-UHFFFAOYSA-N
• XLogP: 10.54
• TPSA: 408.23 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 28
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1762.37
LogP ≤ 5	10.54
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;3-[[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;3-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide;molecular hydrogen?

The IUPAC name of 2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;3-[[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;3-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide;molecular hydrogen (CID 159226508) is 2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;3-[[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;3-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide;molecular hydrogen.

What is the SMILES notation for 2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;3-[[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;3-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide;molecular hydrogen?

The canonical SMILES for 2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;3-[[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;3-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide;molecular hydrogen is COc1ccc(-c2ncc(F)c(NCC(=O)NCC(F)(F)F)n2)cn1.O=C(CCNc1nc(-c2ccc(F)nc2)ncc1F)NCC(F)(F)F.O=C(CCNc1nc(-c2cccnc2F)ncc1F)NCC(F)(F)F.O=C(CNc1nc(-c2ccc(F)nc2)ncc1F)NCC(F)(F)F.O=C(CNc1nc(-c2cccnc2)ncc1F)NCC(F)(F)F.[H][H].[H][H].

What is the InChIKey of 2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;3-[[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;3-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide;molecular hydrogen?

The InChIKey is KSIUZAUSHFCFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12F5N5O.C14H13F4N5O2.C13H10F5N5O.C13H11F4N5O.2H2/c15-9-6-22-12(8-1-2-10(16)21-5-8)24-13(9)20-4-3-11(25)23-7-14(17,18)19;15-9-6-22-12(8-2-1-4-20-11(8)16)24-13(9)21-5-3-10(25)23-7-14(17,18)19;1-25-11-3-2-8(4-19-11)12-20-5-9(15)13(23-12)21-6-10(24)22-7-14(16,17)18;14-8-4-20-11(7-1-2-9(15)19-3-7)23-12(8)21-5-10(24)22-6-13(16,17)18;14-9-5-19-11(8-2-1-3-18-4-8)22-12(9)20-6-10(23)21-7-13(15,16)17;;/h1-2,5-6H,3-4,7H2,(H,23,25)(H,20,22,24);1-2,4,6H,3,5,7H2,(H,23,25)(H,21,22,24);2-5H,6-7H2,1H3,(H,22,24)(H,20,21,23);1-4H,5-6H2,(H,22,24)(H,20,21,23);1-5H,6-7H2,(H,21,23)(H,19,20,22);2*1H.

What are the key properties of 2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;3-[[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;3-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide;molecular hydrogen?

2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;3-[[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;3-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide;molecular hydrogen has a molecular weight of 1762.37 g/mol, XLogP of 10.54, 28 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;3-[[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;3-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide;2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide;molecular hydrogen is sourced from PubChem (CID 159226508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).