(2R)-2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen

C59H66F18N20O5 — CID 160788321

About (2R)-2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen

(2R)-2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen (PubChem CID 160788321) has the molecular formula C59H66F18N20O5 and a molecular weight of 1477.28 g/mol. Its IUPAC name is (2R)-2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen.

Molecular Properties

• Compound Name: (2R)-2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen
• PubChem CID: 160788321
• Molecular Formula: C59H66F18N20O5
• Molecular Weight: 1477.28 g/mol
• Exact Mass: 1476.52
• IUPAC Name: (2R)-2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen
• SMILES: COc1ccc(-c2ncc(F)c(N[C@H](C)C(=O)NCC(F)(F)F)n2)cn1.C[C@@H](Nc1nc(-c2ccc(F)nc2)ncc1F)C(=O)NCC(F)(F)F.C[C@@H](Nc1nc(-c2cccnc2)ncc1F)C(=O)NCC(F)(F)F.O=C(NCC(F)(F)F)[C@H]1CCCN1c1nc(-c2cccnc2F)ncc1F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C16H14F5N5O.C15H15F4N5O2.C14H12F5N5O.C14H13F4N5O.6H2/c17-10-7-23-13(9-3-1-5-22-12(9)18)25-14(10)26-6-2-4-11(26)15(27)24-8-16(19,20)21;1-8(14(25)22-7-15(17,18)19)23-13-10(16)6-21-12(24-13)9-3-4-11(26-2)20-5-9;1-7(13(25)22-6-14(17,18)19)23-12-9(15)5-21-11(24-12)8-2-3-10(16)20-4-8;1-8(13(24)21-7-14(16,17)18)22-12-10(15)6-20-11(23-12)9-3-2-4-19-5-9;;;;;;/h1,3,5,7,11H,2,4,6,8H2,(H,24,27);3-6,8H,7H2,1-2H3,(H,22,25)(H,21,23,24);2-5,7H,6H2,1H3,(H,22,25)(H,21,23,24);2-6,8H,7H2,1H3,(H,21,24)(H,20,22,23);6*1H/t11-;8-;7-;8-;;;;;;/m1111....../s1
• InChIKey: SBMTUPGCRSGSMD-LCTJVQNBSA-N
• XLogP: 10.56
• TPSA: 319.64 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1477.28
LogP ≤ 5	10.56
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen?

The IUPAC name of (2R)-2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen (CID 160788321) is (2R)-2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen.

What is the SMILES notation for (2R)-2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen?

The canonical SMILES for (2R)-2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen is COc1ccc(-c2ncc(F)c(N[C@H](C)C(=O)NCC(F)(F)F)n2)cn1.C[C@@H](Nc1nc(-c2ccc(F)nc2)ncc1F)C(=O)NCC(F)(F)F.C[C@@H](Nc1nc(-c2cccnc2)ncc1F)C(=O)NCC(F)(F)F.O=C(NCC(F)(F)F)[C@H]1CCCN1c1nc(-c2cccnc2F)ncc1F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of (2R)-2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen?

The InChIKey is SBMTUPGCRSGSMD-LCTJVQNBSA-N. The full InChI is InChI=1S/C16H14F5N5O.C15H15F4N5O2.C14H12F5N5O.C14H13F4N5O.6H2/c17-10-7-23-13(9-3-1-5-22-12(9)18)25-14(10)26-6-2-4-11(26)15(27)24-8-16(19,20)21;1-8(14(25)22-7-15(17,18)19)23-13-10(16)6-21-12(24-13)9-3-4-11(26-2)20-5-9;1-7(13(25)22-6-14(17,18)19)23-12-9(15)5-21-11(24-12)8-2-3-10(16)20-4-8;1-8(13(24)21-7-14(16,17)18)22-12-10(15)6-20-11(23-12)9-3-2-4-19-5-9;;;;;;/h1,3,5,7,11H,2,4,6,8H2,(H,24,27);3-6,8H,7H2,1-2H3,(H,22,25)(H,21,23,24);2-5,7H,6H2,1H3,(H,22,25)(H,21,23,24);2-6,8H,7H2,1H3,(H,21,24)(H,20,22,23);6*1H/t11-;8-;7-;8-;;;;;;/m1111....../s1.

What are the key properties of (2R)-2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen?

(2R)-2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen has a molecular weight of 1477.28 g/mol, XLogP of 10.56, 20 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen is sourced from PubChem (CID 160788321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).