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

C52H67F11N14O6 — CID 159357868

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

2-[[5-fluoro-2-(4-hydroxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-[[5-fluoro-2-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;N-propan-2-yl-4-[4-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidin-2-yl]-1H-pyrrole-2-carboxamide (PubChem CID 159357868) has the molecular formula C52H67F11N14O6 and a molecular weight of 1193.18 g/mol. Its IUPAC name is 2-[[5-fluoro-2-(4-hydroxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-[[5-fluoro-2-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;N-propan-2-yl-4-[4-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidin-2-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 2-[[5-fluoro-2-(4-hydroxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-[[5-fluoro-2-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;N-propan-2-yl-4-[4-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidin-2-yl]-1H-pyrrole-2-carboxamide
• PubChem CID: 159357868
• Molecular Formula: C52H67F11N14O6
• Molecular Weight: 1193.18 g/mol
• Exact Mass: 1192.52
• IUPAC Name: 2-[[5-fluoro-2-(4-hydroxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-[[5-fluoro-2-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;N-propan-2-yl-4-[4-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidin-2-yl]-1H-pyrrole-2-carboxamide
• SMILES: CC(C)(Nc1nc(-c2ccc(O)cc2)ncc1F)C(=O)NCC(F)(F)F.CC(C)NC(=O)c1cc(-c2nccc(N3CCC[C@@H]3C(=O)NCC(F)(F)F)n2)c[nH]1.COc1ccc(-c2ncc(F)c(NC(C)(C)C(=O)NCC(F)(F)F)n2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C19H23F3N6O2.C17H18F4N4O2.C16H16F4N4O2.5H2/c1-11(2)26-17(29)13-8-12(9-24-13)16-23-6-5-15(27-16)28-7-3-4-14(28)18(30)25-10-19(20,21)22;1-16(2,15(26)23-9-17(19,20)21)25-14-12(18)8-22-13(24-14)10-4-6-11(27-3)7-5-10;1-15(2,14(26)22-8-16(18,19)20)24-13-11(17)7-21-12(23-13)9-3-5-10(25)6-4-9;;;;;/h5-6,8-9,11,14,24H,3-4,7,10H2,1-2H3,(H,25,30)(H,26,29);4-8H,9H2,1-3H3,(H,23,26)(H,22,24,25);3-7,25H,8H2,1-2H3,(H,22,26)(H,21,23,24);5*1H/t14-;;;;;;;/m1......./s1
• InChIKey: LIDQTBSQCORKGY-DVDRBMSDSA-N
• XLogP: 9.50
• TPSA: 266.29 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1193.18
LogP ≤ 5	9.50
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of 2-[[5-fluoro-2-(4-hydroxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-[[5-fluoro-2-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;N-propan-2-yl-4-[4-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidin-2-yl]-1H-pyrrole-2-carboxamide (CID 159357868) is 2-[[5-fluoro-2-(4-hydroxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-[[5-fluoro-2-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;N-propan-2-yl-4-[4-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidin-2-yl]-1H-pyrrole-2-carboxamide.

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

The canonical SMILES for 2-[[5-fluoro-2-(4-hydroxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-[[5-fluoro-2-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;N-propan-2-yl-4-[4-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidin-2-yl]-1H-pyrrole-2-carboxamide is CC(C)(Nc1nc(-c2ccc(O)cc2)ncc1F)C(=O)NCC(F)(F)F.CC(C)NC(=O)c1cc(-c2nccc(N3CCC[C@@H]3C(=O)NCC(F)(F)F)n2)c[nH]1.COc1ccc(-c2ncc(F)c(NC(C)(C)C(=O)NCC(F)(F)F)n2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].

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

The InChIKey is LIDQTBSQCORKGY-DVDRBMSDSA-N. The full InChI is InChI=1S/C19H23F3N6O2.C17H18F4N4O2.C16H16F4N4O2.5H2/c1-11(2)26-17(29)13-8-12(9-24-13)16-23-6-5-15(27-16)28-7-3-4-14(28)18(30)25-10-19(20,21)22;1-16(2,15(26)23-9-17(19,20)21)25-14-12(18)8-22-13(24-14)10-4-6-11(27-3)7-5-10;1-15(2,14(26)22-8-16(18,19)20)24-13-11(17)7-21-12(23-13)9-3-5-10(25)6-4-9;;;;;/h5-6,8-9,11,14,24H,3-4,7,10H2,1-2H3,(H,25,30)(H,26,29);4-8H,9H2,1-3H3,(H,23,26)(H,22,24,25);3-7,25H,8H2,1-2H3,(H,22,26)(H,21,23,24);5*1H/t14-;;;;;;;/m1......./s1.

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

2-[[5-fluoro-2-(4-hydroxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-[[5-fluoro-2-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;N-propan-2-yl-4-[4-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidin-2-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 1193.18 g/mol, XLogP of 9.50, 17 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-fluoro-2-(4-hydroxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-[[5-fluoro-2-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;N-propan-2-yl-4-[4-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidin-2-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 159357868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).