tert-butyl N-(2-chloropyrimidin-5-yl)carbamate;2-chloropyrimidin-5-amine;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-(5-aminopyrimidin-2-yl)-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[5-[(1-cyanocyclopropanecarbonyl)amino]pyrimidin-2-yl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazol-5-yl]acetate;methyl 1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylate;1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylic acid;hydrochloride

C103H112Cl3F6N35O19 — CID 167556222

About tert-butyl N-(2-chloropyrimidin-5-yl)carbamate;2-chloropyrimidin-5-amine;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-(5-aminopyrimidin-2-yl)-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[5-[(1-cyanocyclopropanecarbonyl)amino]pyrimidin-2-yl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazol-5-yl]acetate;methyl 1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylate;1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylic acid;hydrochloride

tert-butyl N-(2-chloropyrimidin-5-yl)carbamate;2-chloropyrimidin-5-amine;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-(5-aminopyrimidin-2-yl)-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[5-[(1-cyanocyclopropanecarbonyl)amino]pyrimidin-2-yl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazol-5-yl]acetate;methyl 1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylate;1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylic acid;hydrochloride (PubChem CID 167556222) has the molecular formula C103H112Cl3F6N35O19 and a molecular weight of 2364.60 g/mol. Its IUPAC name is tert-butyl N-(2-chloropyrimidin-5-yl)carbamate;2-chloropyrimidin-5-amine;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-(5-aminopyrimidin-2-yl)-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[5-[(1-cyanocyclopropanecarbonyl)amino]pyrimidin-2-yl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazol-5-yl]acetate;methyl 1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylate;1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl N-(2-chloropyrimidin-5-yl)carbamate;2-chloropyrimidin-5-amine;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-(5-aminopyrimidin-2-yl)-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[5-[(1-cyanocyclopropanecarbonyl)amino]pyrimidin-2-yl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazol-5-yl]acetate;methyl 1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylate;1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylic acid;hydrochloride
• PubChem CID: 167556222
• Molecular Formula: C103H112Cl3F6N35O19
• Molecular Weight: 2364.60 g/mol
• Exact Mass: 2361.78
• IUPAC Name: tert-butyl N-(2-chloropyrimidin-5-yl)carbamate;2-chloropyrimidin-5-amine;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-(5-aminopyrimidin-2-yl)-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[5-[(1-cyanocyclopropanecarbonyl)amino]pyrimidin-2-yl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazol-5-yl]acetate;methyl 1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylate;1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylic acid;hydrochloride
• SMILES: CC(C)(C)OC(=O)Nc1cnc(Cl)nc1.COC(=O)c1c(-c2ncc(NC(=O)OC(C)(C)C)cn2)cnn1C.C[C@@H](OC(=O)Cc1c(-c2ncc(N)cn2)cnn1C)c1cc(F)cnc1F.C[C@@H](OC(=O)Cc1c(-c2ncc(NC(=O)C3(C#N)CC3)cn2)cnn1C)c1cc(F)cnc1F.C[C@@H](OC(=O)Cc1c(-c2ncc(NC(=O)OC(C)(C)C)cn2)cnn1C)c1cc(F)cnc1F.Cl.Cn1ncc(-c2ncc(NC(=O)OC(C)(C)C)cn2)c1C(=O)O.Nc1cnc(Cl)nc1
• InChI: InChI=1S/C22H19F2N7O3.C22H24F2N6O4.C17H16F2N6O2.C15H19N5O4.C14H17N5O4.C9H12ClN3O2.C4H4ClN3.ClH/c1-12(15-5-13(23)7-26-19(15)24)34-18(32)6-17-16(10-29-31(17)2)20-27-8-14(9-28-20)30-21(33)22(11-25)3-4-22;1-12(15-6-13(23)8-25-19(15)24)33-18(31)7-17-16(11-28-30(17)5)20-26-9-14(10-27-20)29-21(32)34-22(2,3)4;1-9(12-3-10(18)5-21-16(12)19)27-15(26)4-14-13(8-24-25(14)2)17-22-6-11(20)7-23-17;1-15(2,3)24-14(22)19-9-6-16-12(17-7-9)10-8-18-20(4)11(10)13(21)23-5;1-14(2,3)23-13(22)18-8-5-15-11(16-6-8)9-7-17-19(4)10(9)12(20)21;1-9(2,3)15-8(14)13-6-4-11-7(10)12-5-6;5-4-7-1-3(6)2-8-4;/h5,7-10,12H,3-4,6H2,1-2H3,(H,30,33);6,8-12H,7H2,1-5H3,(H,29,32);3,5-9H,4,20H2,1-2H3;6-8H,1-5H3,(H,19,22);5-7H,1-4H3,(H,18,22)(H,20,21);4-5H,1-3H3,(H,13,14);1-2H,6H2;1H/t2*12-;9-;;;;;/m111...../s1
• InChIKey: WUJQFBIQYKSUQY-REXJDOBNSA-N
• XLogP: 15.91
• TPSA: 708.98 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 48
• Rotatable Bonds: 25
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2364.60
LogP ≤ 5	15.91
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-chloropyrimidin-5-yl)carbamate;2-chloropyrimidin-5-amine;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-(5-aminopyrimidin-2-yl)-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[5-[(1-cyanocyclopropanecarbonyl)amino]pyrimidin-2-yl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazol-5-yl]acetate;methyl 1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylate;1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylic acid;hydrochloride?

The IUPAC name of tert-butyl N-(2-chloropyrimidin-5-yl)carbamate;2-chloropyrimidin-5-amine;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-(5-aminopyrimidin-2-yl)-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[5-[(1-cyanocyclopropanecarbonyl)amino]pyrimidin-2-yl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazol-5-yl]acetate;methyl 1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylate;1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylic acid;hydrochloride (CID 167556222) is tert-butyl N-(2-chloropyrimidin-5-yl)carbamate;2-chloropyrimidin-5-amine;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-(5-aminopyrimidin-2-yl)-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[5-[(1-cyanocyclopropanecarbonyl)amino]pyrimidin-2-yl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazol-5-yl]acetate;methyl 1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylate;1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylic acid;hydrochloride.

What is the SMILES notation for tert-butyl N-(2-chloropyrimidin-5-yl)carbamate;2-chloropyrimidin-5-amine;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-(5-aminopyrimidin-2-yl)-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[5-[(1-cyanocyclopropanecarbonyl)amino]pyrimidin-2-yl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazol-5-yl]acetate;methyl 1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylate;1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylic acid;hydrochloride?

The canonical SMILES for tert-butyl N-(2-chloropyrimidin-5-yl)carbamate;2-chloropyrimidin-5-amine;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-(5-aminopyrimidin-2-yl)-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[5-[(1-cyanocyclopropanecarbonyl)amino]pyrimidin-2-yl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazol-5-yl]acetate;methyl 1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylate;1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylic acid;hydrochloride is CC(C)(C)OC(=O)Nc1cnc(Cl)nc1.COC(=O)c1c(-c2ncc(NC(=O)OC(C)(C)C)cn2)cnn1C.C[C@@H](OC(=O)Cc1c(-c2ncc(N)cn2)cnn1C)c1cc(F)cnc1F.C[C@@H](OC(=O)Cc1c(-c2ncc(NC(=O)C3(C#N)CC3)cn2)cnn1C)c1cc(F)cnc1F.C[C@@H](OC(=O)Cc1c(-c2ncc(NC(=O)OC(C)(C)C)cn2)cnn1C)c1cc(F)cnc1F.Cl.Cn1ncc(-c2ncc(NC(=O)OC(C)(C)C)cn2)c1C(=O)O.Nc1cnc(Cl)nc1.

What is the InChIKey of tert-butyl N-(2-chloropyrimidin-5-yl)carbamate;2-chloropyrimidin-5-amine;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-(5-aminopyrimidin-2-yl)-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[5-[(1-cyanocyclopropanecarbonyl)amino]pyrimidin-2-yl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazol-5-yl]acetate;methyl 1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylate;1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylic acid;hydrochloride?

The InChIKey is WUJQFBIQYKSUQY-REXJDOBNSA-N. The full InChI is InChI=1S/C22H19F2N7O3.C22H24F2N6O4.C17H16F2N6O2.C15H19N5O4.C14H17N5O4.C9H12ClN3O2.C4H4ClN3.ClH/c1-12(15-5-13(23)7-26-19(15)24)34-18(32)6-17-16(10-29-31(17)2)20-27-8-14(9-28-20)30-21(33)22(11-25)3-4-22;1-12(15-6-13(23)8-25-19(15)24)33-18(31)7-17-16(11-28-30(17)5)20-26-9-14(10-27-20)29-21(32)34-22(2,3)4;1-9(12-3-10(18)5-21-16(12)19)27-15(26)4-14-13(8-24-25(14)2)17-22-6-11(20)7-23-17;1-15(2,3)24-14(22)19-9-6-16-12(17-7-9)10-8-18-20(4)11(10)13(21)23-5;1-14(2,3)23-13(22)18-8-5-15-11(16-6-8)9-7-17-19(4)10(9)12(20)21;1-9(2,3)15-8(14)13-6-4-11-7(10)12-5-6;5-4-7-1-3(6)2-8-4;/h5,7-10,12H,3-4,6H2,1-2H3,(H,30,33);6,8-12H,7H2,1-5H3,(H,29,32);3,5-9H,4,20H2,1-2H3;6-8H,1-5H3,(H,19,22);5-7H,1-4H3,(H,18,22)(H,20,21);4-5H,1-3H3,(H,13,14);1-2H,6H2;1H/t2*12-;9-;;;;;/m111...../s1.

What are the key properties of tert-butyl N-(2-chloropyrimidin-5-yl)carbamate;2-chloropyrimidin-5-amine;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-(5-aminopyrimidin-2-yl)-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[5-[(1-cyanocyclopropanecarbonyl)amino]pyrimidin-2-yl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazol-5-yl]acetate;methyl 1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylate;1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylic acid;hydrochloride?

tert-butyl N-(2-chloropyrimidin-5-yl)carbamate;2-chloropyrimidin-5-amine;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-(5-aminopyrimidin-2-yl)-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[5-[(1-cyanocyclopropanecarbonyl)amino]pyrimidin-2-yl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazol-5-yl]acetate;methyl 1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylate;1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylic acid;hydrochloride has a molecular weight of 2364.60 g/mol, XLogP of 15.91, 25 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(2-chloropyrimidin-5-yl)carbamate;2-chloropyrimidin-5-amine;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-(5-aminopyrimidin-2-yl)-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[5-[(1-cyanocyclopropanecarbonyl)amino]pyrimidin-2-yl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazol-5-yl]acetate;methyl 1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylate;1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 167556222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).