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

C56H64ClF17N20O4 — CID 157339966

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

(2S)-2-[[2-(2-chloro-4-pyridinyl)-5-fluoropyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[(5-fluoro-2-pyridin-4-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen (PubChem CID 157339966) has the molecular formula C56H64ClF17N20O4 and a molecular weight of 1439.68 g/mol. Its IUPAC name is (2S)-2-[[2-(2-chloro-4-pyridinyl)-5-fluoropyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[(5-fluoro-2-pyridin-4-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen.

Molecular Properties

• Compound Name: (2S)-2-[[2-(2-chloro-4-pyridinyl)-5-fluoropyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[(5-fluoro-2-pyridin-4-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen
• PubChem CID: 157339966
• Molecular Formula: C56H64ClF17N20O4
• Molecular Weight: 1439.68 g/mol
• Exact Mass: 1438.48
• IUPAC Name: (2S)-2-[[2-(2-chloro-4-pyridinyl)-5-fluoropyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[(5-fluoro-2-pyridin-4-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen
• SMILES: 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.C[C@H](Nc1nc(-c2ccnc(Cl)c2)ncc1F)C(=O)NCC(F)(F)F.C[C@H](Nc1nc(-c2ccncc2)ncc1F)C(=O)NCC(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C14H12ClF4N5O.C14H12F5N5O.2C14H13F4N5O.7H2/c1-7(13(25)22-6-14(17,18)19)23-12-9(16)5-21-11(24-12)8-2-3-20-10(15)4-8;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)9-2-4-19-5-3-9;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;;;;;;;/h2*2-5,7H,6H2,1H3,(H,22,25)(H,21,23,24);2*2-6,8H,7H2,1H3,(H,21,24)(H,20,22,23);7*1H/t2*7-;2*8-;;;;;;;/m0000......./s1
• InChIKey: BGGZMYHKQLYANS-YKOBUCORSA-N
• XLogP: 11.14
• TPSA: 319.20 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1439.68
LogP ≤ 5	11.14
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2S)-2-[[2-(2-chloro-4-pyridinyl)-5-fluoropyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[(5-fluoro-2-pyridin-4-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen (CID 157339966) is (2S)-2-[[2-(2-chloro-4-pyridinyl)-5-fluoropyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[(5-fluoro-2-pyridin-4-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen.

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

The canonical SMILES for (2S)-2-[[2-(2-chloro-4-pyridinyl)-5-fluoropyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[(5-fluoro-2-pyridin-4-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen is 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.C[C@H](Nc1nc(-c2ccnc(Cl)c2)ncc1F)C(=O)NCC(F)(F)F.C[C@H](Nc1nc(-c2ccncc2)ncc1F)C(=O)NCC(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

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

The InChIKey is BGGZMYHKQLYANS-YKOBUCORSA-N. The full InChI is InChI=1S/C14H12ClF4N5O.C14H12F5N5O.2C14H13F4N5O.7H2/c1-7(13(25)22-6-14(17,18)19)23-12-9(16)5-21-11(24-12)8-2-3-20-10(15)4-8;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)9-2-4-19-5-3-9;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;;;;;;;/h2*2-5,7H,6H2,1H3,(H,22,25)(H,21,23,24);2*2-6,8H,7H2,1H3,(H,21,24)(H,20,22,23);7*1H/t2*7-;2*8-;;;;;;;/m0000......./s1.

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

(2S)-2-[[2-(2-chloro-4-pyridinyl)-5-fluoropyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[(5-fluoro-2-pyridin-4-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen has a molecular weight of 1439.68 g/mol, XLogP of 11.14, 20 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[2-(2-chloro-4-pyridinyl)-5-fluoropyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[[5-fluoro-2-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[(5-fluoro-2-pyridin-3-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[(5-fluoro-2-pyridin-4-ylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen is sourced from PubChem (CID 157339966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).