2,4-dichloro-5-methylpyrimidine;1,4-dioxane;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methyl 2-[[(3R)-7-(2-chloro-5-methylpyrimidin-4-yl)-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-1-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;2-methylpyrazol-3-amine

C113H127BCl3F4N25O19 — CID 160951834

About 2,4-dichloro-5-methylpyrimidine;1,4-dioxane;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methyl 2-[[(3R)-7-(2-chloro-5-methylpyrimidin-4-yl)-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-1-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;2-methylpyrazol-3-amine

2,4-dichloro-5-methylpyrimidine;1,4-dioxane;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methyl 2-[[(3R)-7-(2-chloro-5-methylpyrimidin-4-yl)-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-1-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;2-methylpyrazol-3-amine (PubChem CID 160951834) has the molecular formula C113H127BCl3F4N25O19 and a molecular weight of 2332.58 g/mol. Its IUPAC name is 2,4-dichloro-5-methylpyrimidine;1,4-dioxane;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methyl 2-[[(3R)-7-(2-chloro-5-methylpyrimidin-4-yl)-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-1-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;2-methylpyrazol-3-amine.

Molecular Properties

• Compound Name: 2,4-dichloro-5-methylpyrimidine;1,4-dioxane;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methyl 2-[[(3R)-7-(2-chloro-5-methylpyrimidin-4-yl)-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-1-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;2-methylpyrazol-3-amine
• PubChem CID: 160951834
• Molecular Formula: C113H127BCl3F4N25O19
• Molecular Weight: 2332.58 g/mol
• Exact Mass: 2329.88
• IUPAC Name: 2,4-dichloro-5-methylpyrimidine;1,4-dioxane;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methyl 2-[[(3R)-7-(2-chloro-5-methylpyrimidin-4-yl)-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-1-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;2-methylpyrazol-3-amine
• SMILES: C1COCCO1.COC[C@H]1Cn2cc(-c3nc(Cl)ncc3C)cc2C(=O)N1Cc1cc(F)ccc1C(=O)OC.COC[C@H]1Cn2cc(-c3nc(Nc4ccnn4C)ncc3C)cc2C(=O)N1Cc1cc(F)ccc1C(=O)OC.COC[C@H]1Cn2cc(-c3nc(Nc4ccnn4C)ncc3C)cc2C(=O)N1Cc1cc(F)ccc1CO.COC[C@H]1Cn2cc(B3OC(C)(C)C(C)(C)O3)cc2C(=O)N1Cc1cc(F)ccc1C(=O)OC.Cc1cnc(Cl)nc1Cl.Cn1nccc1N
• InChI: InChI=1S/C27H28FN7O4.C26H28FN7O3.C24H30BFN2O6.C23H22ClFN4O4.C5H4Cl2N2.C4H7N3.C4H8O2/c1-16-11-29-27(31-23-7-8-30-33(23)2)32-24(16)18-10-22-25(36)35(20(15-38-3)14-34(22)12-18)13-17-9-19(28)5-6-21(17)26(37)39-4;1-16-10-28-26(30-23-6-7-29-32(23)2)31-24(16)19-9-22-25(36)34(21(15-37-3)13-33(22)11-19)12-18-8-20(27)5-4-17(18)14-35;1-23(2)24(3,4)34-25(33-23)16-10-20-21(29)28(18(14-31-5)13-27(20)12-16)11-15-9-17(26)7-8-19(15)22(30)32-6;1-13-8-26-23(24)27-20(13)15-7-19-21(30)29(17(12-32-2)11-28(19)9-15)10-14-6-16(25)4-5-18(14)22(31)33-3;1-3-2-8-5(7)9-4(3)6;1-7-4(5)2-3-6-7;1-2-6-4-3-5-1/h5-12,20H,13-15H2,1-4H3,(H,29,31,32);4-11,21,35H,12-15H2,1-3H3,(H,28,30,31);7-10,12,18H,11,13-14H2,1-6H3;4-9,17H,10-12H2,1-3H3;2H,1H3;2-3H,5H2,1H3;1-4H2/t20-;21-;18-;17-;;;/m1111.../s1
• InChIKey: SVWARMRUIIIMDZ-HDFFXLITSA-N
• XLogP: 14.38
• TPSA: 480.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 40
• Rotatable Bonds: 28
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2332.58
LogP ≤ 5	14.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-methylpyrimidine;1,4-dioxane;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methyl 2-[[(3R)-7-(2-chloro-5-methylpyrimidin-4-yl)-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-1-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;2-methylpyrazol-3-amine?

The IUPAC name of 2,4-dichloro-5-methylpyrimidine;1,4-dioxane;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methyl 2-[[(3R)-7-(2-chloro-5-methylpyrimidin-4-yl)-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-1-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;2-methylpyrazol-3-amine (CID 160951834) is 2,4-dichloro-5-methylpyrimidine;1,4-dioxane;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methyl 2-[[(3R)-7-(2-chloro-5-methylpyrimidin-4-yl)-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-1-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;2-methylpyrazol-3-amine.

What is the SMILES notation for 2,4-dichloro-5-methylpyrimidine;1,4-dioxane;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methyl 2-[[(3R)-7-(2-chloro-5-methylpyrimidin-4-yl)-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-1-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;2-methylpyrazol-3-amine?

The canonical SMILES for 2,4-dichloro-5-methylpyrimidine;1,4-dioxane;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methyl 2-[[(3R)-7-(2-chloro-5-methylpyrimidin-4-yl)-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-1-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;2-methylpyrazol-3-amine is C1COCCO1.COC[C@H]1Cn2cc(-c3nc(Cl)ncc3C)cc2C(=O)N1Cc1cc(F)ccc1C(=O)OC.COC[C@H]1Cn2cc(-c3nc(Nc4ccnn4C)ncc3C)cc2C(=O)N1Cc1cc(F)ccc1C(=O)OC.COC[C@H]1Cn2cc(-c3nc(Nc4ccnn4C)ncc3C)cc2C(=O)N1Cc1cc(F)ccc1CO.COC[C@H]1Cn2cc(B3OC(C)(C)C(C)(C)O3)cc2C(=O)N1Cc1cc(F)ccc1C(=O)OC.Cc1cnc(Cl)nc1Cl.Cn1nccc1N.

What is the InChIKey of 2,4-dichloro-5-methylpyrimidine;1,4-dioxane;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methyl 2-[[(3R)-7-(2-chloro-5-methylpyrimidin-4-yl)-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-1-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;2-methylpyrazol-3-amine?

The InChIKey is SVWARMRUIIIMDZ-HDFFXLITSA-N. The full InChI is InChI=1S/C27H28FN7O4.C26H28FN7O3.C24H30BFN2O6.C23H22ClFN4O4.C5H4Cl2N2.C4H7N3.C4H8O2/c1-16-11-29-27(31-23-7-8-30-33(23)2)32-24(16)18-10-22-25(36)35(20(15-38-3)14-34(22)12-18)13-17-9-19(28)5-6-21(17)26(37)39-4;1-16-10-28-26(30-23-6-7-29-32(23)2)31-24(16)19-9-22-25(36)34(21(15-37-3)13-33(22)11-19)12-18-8-20(27)5-4-17(18)14-35;1-23(2)24(3,4)34-25(33-23)16-10-20-21(29)28(18(14-31-5)13-27(20)12-16)11-15-9-17(26)7-8-19(15)22(30)32-6;1-13-8-26-23(24)27-20(13)15-7-19-21(30)29(17(12-32-2)11-28(19)9-15)10-14-6-16(25)4-5-18(14)22(31)33-3;1-3-2-8-5(7)9-4(3)6;1-7-4(5)2-3-6-7;1-2-6-4-3-5-1/h5-12,20H,13-15H2,1-4H3,(H,29,31,32);4-11,21,35H,12-15H2,1-3H3,(H,28,30,31);7-10,12,18H,11,13-14H2,1-6H3;4-9,17H,10-12H2,1-3H3;2H,1H3;2-3H,5H2,1H3;1-4H2/t20-;21-;18-;17-;;;/m1111.../s1.

What are the key properties of 2,4-dichloro-5-methylpyrimidine;1,4-dioxane;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methyl 2-[[(3R)-7-(2-chloro-5-methylpyrimidin-4-yl)-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-1-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;2-methylpyrazol-3-amine?

2,4-dichloro-5-methylpyrimidine;1,4-dioxane;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methyl 2-[[(3R)-7-(2-chloro-5-methylpyrimidin-4-yl)-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-1-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;2-methylpyrazol-3-amine has a molecular weight of 2332.58 g/mol, XLogP of 14.38, 28 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-5-methylpyrimidine;1,4-dioxane;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methyl 2-[[(3R)-7-(2-chloro-5-methylpyrimidin-4-yl)-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-1-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;2-methylpyrazol-3-amine is sourced from PubChem (CID 160951834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).