(2R)-1-[5-fluoro-2-(4-hydroxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[5-fluoro-2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen

C70H76F14N16O8 — CID 160701454

About (2R)-1-[5-fluoro-2-(4-hydroxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[5-fluoro-2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen

(2R)-1-[5-fluoro-2-(4-hydroxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[5-fluoro-2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen (PubChem CID 160701454) has the molecular formula C70H76F14N16O8 and a molecular weight of 1535.45 g/mol. Its IUPAC name is (2R)-1-[5-fluoro-2-(4-hydroxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[5-fluoro-2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: (2R)-1-[5-fluoro-2-(4-hydroxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[5-fluoro-2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen
• PubChem CID: 160701454
• Molecular Formula: C70H76F14N16O8
• Molecular Weight: 1535.45 g/mol
• Exact Mass: 1534.58
• IUPAC Name: (2R)-1-[5-fluoro-2-(4-hydroxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[5-fluoro-2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen
• SMILES: COc1ccc(-c2ncc(F)c(N3CCC[C@@H]3C(=O)NCC(F)(F)F)n2)cc1.COc1ccc(-c2nccc(N3CCC[C@@H]3C(=O)NCC(F)(F)F)n2)cc1.COc1ccc(-c2nccc(NC(C)(C)C(=O)NCC(F)(F)F)n2)cc1.O=C(NCC(F)(F)F)[C@H]1CCCN1c1nc(-c2ccc(O)cc2)ncc1F.[H][H].[H][H]
• InChI: InChI=1S/C18H18F4N4O2.C18H19F3N4O2.C17H16F4N4O2.C17H19F3N4O2.2H2/c1-28-12-6-4-11(5-7-12)15-23-9-13(19)16(25-15)26-8-2-3-14(26)17(27)24-10-18(20,21)22;1-27-13-6-4-12(5-7-13)16-22-9-8-15(24-16)25-10-2-3-14(25)17(26)23-11-18(19,20)21;18-12-8-22-14(10-3-5-11(26)6-4-10)24-15(12)25-7-1-2-13(25)16(27)23-9-17(19,20)21;1-16(2,15(25)22-10-17(18,19)20)24-13-8-9-21-14(23-13)11-4-6-12(26-3)7-5-11;;/h4-7,9,14H,2-3,8,10H2,1H3,(H,24,27);4-9,14H,2-3,10-11H2,1H3,(H,23,26);3-6,8,13,26H,1-2,7,9H2,(H,23,27);4-9H,10H2,1-3H3,(H,22,25)(H,21,23,24);2*1H/t2*14-;13-;;;/m111.../s1
• InChIKey: RQRAJBUNGBLSOQ-URHHIZGPSA-N
• XLogP: 11.89
• TPSA: 289.19 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1535.45
LogP ≤ 5	11.89
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[5-fluoro-2-(4-hydroxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[5-fluoro-2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen?

The IUPAC name of (2R)-1-[5-fluoro-2-(4-hydroxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[5-fluoro-2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen (CID 160701454) is (2R)-1-[5-fluoro-2-(4-hydroxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[5-fluoro-2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen.

What is the SMILES notation for (2R)-1-[5-fluoro-2-(4-hydroxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[5-fluoro-2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen?

The canonical SMILES for (2R)-1-[5-fluoro-2-(4-hydroxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[5-fluoro-2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen is COc1ccc(-c2ncc(F)c(N3CCC[C@@H]3C(=O)NCC(F)(F)F)n2)cc1.COc1ccc(-c2nccc(N3CCC[C@@H]3C(=O)NCC(F)(F)F)n2)cc1.COc1ccc(-c2nccc(NC(C)(C)C(=O)NCC(F)(F)F)n2)cc1.O=C(NCC(F)(F)F)[C@H]1CCCN1c1nc(-c2ccc(O)cc2)ncc1F.[H][H].[H][H].

What is the InChIKey of (2R)-1-[5-fluoro-2-(4-hydroxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[5-fluoro-2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen?

The InChIKey is RQRAJBUNGBLSOQ-URHHIZGPSA-N. The full InChI is InChI=1S/C18H18F4N4O2.C18H19F3N4O2.C17H16F4N4O2.C17H19F3N4O2.2H2/c1-28-12-6-4-11(5-7-12)15-23-9-13(19)16(25-15)26-8-2-3-14(26)17(27)24-10-18(20,21)22;1-27-13-6-4-12(5-7-13)16-22-9-8-15(24-16)25-10-2-3-14(25)17(26)23-11-18(19,20)21;18-12-8-22-14(10-3-5-11(26)6-4-10)24-15(12)25-7-1-2-13(25)16(27)23-9-17(19,20)21;1-16(2,15(25)22-10-17(18,19)20)24-13-8-9-21-14(23-13)11-4-6-12(26-3)7-5-11;;/h4-7,9,14H,2-3,8,10H2,1H3,(H,24,27);4-9,14H,2-3,10-11H2,1H3,(H,23,26);3-6,8,13,26H,1-2,7,9H2,(H,23,27);4-9H,10H2,1-3H3,(H,22,25)(H,21,23,24);2*1H/t2*14-;13-;;;/m111.../s1.

What are the key properties of (2R)-1-[5-fluoro-2-(4-hydroxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[5-fluoro-2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen?

(2R)-1-[5-fluoro-2-(4-hydroxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[5-fluoro-2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen has a molecular weight of 1535.45 g/mol, XLogP of 11.89, 20 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[5-fluoro-2-(4-hydroxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[5-fluoro-2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 160701454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).