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

C68H82F13N21O8S — CID 158244664

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

2-[[2-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;(2R)-1-[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 158244664) has the molecular formula C68H82F13N21O8S and a molecular weight of 1600.58 g/mol. Its IUPAC name is 2-[[2-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;(2R)-1-[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 2-[[2-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;(2R)-1-[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
• PubChem CID: 158244664
• Molecular Formula: C68H82F13N21O8S
• Molecular Weight: 1600.58 g/mol
• Exact Mass: 1599.62
• IUPAC Name: 2-[[2-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;(2R)-1-[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
• SMILES: CC(=O)Nc1nc2ccc(-c3nccc(NC(C)(C)C(=O)NCC(F)(F)F)n3)cc2s1.COc1ccc(-c2ncc(F)c(N[C@@H](C(=O)NCC(F)(F)F)C(C)C)n2)cn1.COc1ccc(-c2nccc(NC(C)(C)C(=O)NCC(F)(F)F)n2)cn1.O=C(NCC(F)(F)F)[C@H]1CCCN1c1ccnc(-c2ccc(=O)[nH]c2)n1.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C19H19F3N6O2S.C17H19F4N5O2.C16H16F3N5O2.C16H18F3N5O2.5H2/c1-10(29)25-17-26-12-5-4-11(8-13(12)31-17)15-23-7-6-14(27-15)28-18(2,3)16(30)24-9-19(20,21)22;1-9(2)13(16(27)24-8-17(19,20)21)25-15-11(18)7-23-14(26-15)10-4-5-12(28-3)22-6-10;17-16(18,19)9-22-15(26)11-2-1-7-24(11)12-5-6-20-14(23-12)10-3-4-13(25)21-8-10;1-15(2,14(25)22-9-16(17,18)19)24-11-6-7-20-13(23-11)10-4-5-12(26-3)21-8-10;;;;;/h4-8H,9H2,1-3H3,(H,24,30)(H,23,27,28)(H,25,26,29);4-7,9,13H,8H2,1-3H3,(H,24,27)(H,23,25,26);3-6,8,11H,1-2,7,9H2,(H,21,25)(H,22,26);4-8H,9H2,1-3H3,(H,22,25)(H,20,23,24);5*1H/t;13-;11-;;;;;;/m.11....../s1
• InChIKey: GFYWNVPLXBCASK-BMFWVFNASA-N
• XLogP: 11.51
• TPSA: 377.94 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1600.58
LogP ≤ 5	11.51
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of 2-[[2-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;(2R)-1-[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 158244664) is 2-[[2-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;(2R)-1-[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

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

The canonical SMILES for 2-[[2-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;(2R)-1-[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is CC(=O)Nc1nc2ccc(-c3nccc(NC(C)(C)C(=O)NCC(F)(F)F)n3)cc2s1.COc1ccc(-c2ncc(F)c(N[C@@H](C(=O)NCC(F)(F)F)C(C)C)n2)cn1.COc1ccc(-c2nccc(NC(C)(C)C(=O)NCC(F)(F)F)n2)cn1.O=C(NCC(F)(F)F)[C@H]1CCCN1c1ccnc(-c2ccc(=O)[nH]c2)n1.[H][H].[H][H].[H][H].[H][H].[H][H].

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

The InChIKey is GFYWNVPLXBCASK-BMFWVFNASA-N. The full InChI is InChI=1S/C19H19F3N6O2S.C17H19F4N5O2.C16H16F3N5O2.C16H18F3N5O2.5H2/c1-10(29)25-17-26-12-5-4-11(8-13(12)31-17)15-23-7-6-14(27-15)28-18(2,3)16(30)24-9-19(20,21)22;1-9(2)13(16(27)24-8-17(19,20)21)25-15-11(18)7-23-14(26-15)10-4-5-12(28-3)22-6-10;17-16(18,19)9-22-15(26)11-2-1-7-24(11)12-5-6-20-14(23-12)10-3-4-13(25)21-8-10;1-15(2,14(25)22-9-16(17,18)19)24-11-6-7-20-13(23-11)10-4-5-12(26-3)21-8-10;;;;;/h4-8H,9H2,1-3H3,(H,24,30)(H,23,27,28)(H,25,26,29);4-7,9,13H,8H2,1-3H3,(H,24,27)(H,23,25,26);3-6,8,11H,1-2,7,9H2,(H,21,25)(H,22,26);4-8H,9H2,1-3H3,(H,22,25)(H,20,23,24);5*1H/t;13-;11-;;;;;;/m.11....../s1.

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

2-[[2-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;(2R)-1-[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 1600.58 g/mol, XLogP of 11.51, 23 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;(2R)-1-[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 158244664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).