tert-butyl (2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxylate;tert-butyl (2R)-2-methylpiperazine-1-carboxylate;4-chloro-6-(4-fluorophenyl)thieno[3,2-d]pyrimidine;(2R)-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxamide;6-(4-fluorophenyl)-4-[(3S)-3-methylpiperidin-1-yl]thieno[3,2-d]pyrimidine;(2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;(4-nitrophenyl) N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate

C140H146ClF7N24O13S5 — CID 158927245

About tert-butyl (2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxylate;tert-butyl (2R)-2-methylpiperazine-1-carboxylate;4-chloro-6-(4-fluorophenyl)thieno[3,2-d]pyrimidine;(2R)-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxamide;6-(4-fluorophenyl)-4-[(3S)-3-methylpiperidin-1-yl]thieno[3,2-d]pyrimidine;(2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;(4-nitrophenyl) N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate

tert-butyl (2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxylate;tert-butyl (2R)-2-methylpiperazine-1-carboxylate;4-chloro-6-(4-fluorophenyl)thieno[3,2-d]pyrimidine;(2R)-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxamide;6-(4-fluorophenyl)-4-[(3S)-3-methylpiperidin-1-yl]thieno[3,2-d]pyrimidine;(2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;(4-nitrophenyl) N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate (PubChem CID 158927245) has the molecular formula C140H146ClF7N24O13S5 and a molecular weight of 2701.64 g/mol. Its IUPAC name is tert-butyl (2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxylate;tert-butyl (2R)-2-methylpiperazine-1-carboxylate;4-chloro-6-(4-fluorophenyl)thieno[3,2-d]pyrimidine;(2R)-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxamide;6-(4-fluorophenyl)-4-[(3S)-3-methylpiperidin-1-yl]thieno[3,2-d]pyrimidine;(2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;(4-nitrophenyl) N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl (2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxylate;tert-butyl (2R)-2-methylpiperazine-1-carboxylate;4-chloro-6-(4-fluorophenyl)thieno[3,2-d]pyrimidine;(2R)-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxamide;6-(4-fluorophenyl)-4-[(3S)-3-methylpiperidin-1-yl]thieno[3,2-d]pyrimidine;(2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;(4-nitrophenyl) N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate
• PubChem CID: 158927245
• Molecular Formula: C140H146ClF7N24O13S5
• Molecular Weight: 2701.64 g/mol
• Exact Mass: 2698.97
• IUPAC Name: tert-butyl (2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxylate;tert-butyl (2R)-2-methylpiperazine-1-carboxylate;4-chloro-6-(4-fluorophenyl)thieno[3,2-d]pyrimidine;(2R)-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxamide;6-(4-fluorophenyl)-4-[(3S)-3-methylpiperidin-1-yl]thieno[3,2-d]pyrimidine;(2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;(4-nitrophenyl) N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate
• SMILES: COc1cccc([C@H](C)N=C=O)c1.COc1cccc([C@H](C)NC(=O)N2CCN(c3ncnc4cc(-c5ccc(F)cc5)sc34)C[C@H]2C)c1.C[C@@H]1CN(c2ncnc3cc(-c4ccc(F)cc4)sc23)CCN1C(=O)OC(C)(C)C.C[C@@H]1CNCCN1C(=O)OC(C)(C)C.C[C@H](NC(=O)N1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc23)C[C@H]1C)c1cccc(F)c1.C[C@H](NC(=O)Oc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1.C[C@H]1CCCN(c2ncnc3cc(-c4ccc(F)cc4)sc23)C1.Fc1ccc(-c2cc3ncnc(Cl)c3s2)cc1
• InChI: InChI=1S/C27H28FN5O2S.C26H25F2N5OS.C22H25FN4O2S.C18H18FN3S.C15H13FN2O4.C12H6ClFN2S.C10H20N2O2.C10H11NO2/c1-17-15-32(11-12-33(17)27(34)31-18(2)20-5-4-6-22(13-20)35-3)26-25-23(29-16-30-26)14-24(36-25)19-7-9-21(28)10-8-19;1-16-14-32(10-11-33(16)26(34)31-17(2)19-4-3-5-21(28)12-19)25-24-22(29-15-30-25)13-23(35-24)18-6-8-20(27)9-7-18;1-14-12-26(9-10-27(14)21(28)29-22(2,3)4)20-19-17(24-13-25-20)11-18(30-19)15-5-7-16(23)8-6-15;1-12-3-2-8-22(10-12)18-17-15(20-11-21-18)9-16(23-17)13-4-6-14(19)7-5-13;1-10(11-3-2-4-12(16)9-11)17-15(19)22-14-7-5-13(6-8-14)18(20)21;13-12-11-9(15-6-16-12)5-10(17-11)7-1-3-8(14)4-2-7;1-8-7-11-5-6-12(8)9(13)14-10(2,3)4;1-8(11-7-12)9-4-3-5-10(6-9)13-2/h4-10,13-14,16-18H,11-12,15H2,1-3H3,(H,31,34);3-9,12-13,15-17H,10-11,14H2,1-2H3,(H,31,34);5-8,11,13-14H,9-10,12H2,1-4H3;4-7,9,11-12H,2-3,8,10H2,1H3;2-10H,1H3,(H,17,19);1-6H;8,11H,5-7H2,1-4H3;3-6,8H,1-2H3/t17-,18+;16-,17+;14-;12-;10-;;2*8-/m11100.10/s1
• InChIKey: JIPHABUXNLKLED-OULILOTASA-N
• XLogP: 31.82
• TPSA: 407.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 21
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2701.64
LogP ≤ 5	31.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxylate;tert-butyl (2R)-2-methylpiperazine-1-carboxylate;4-chloro-6-(4-fluorophenyl)thieno[3,2-d]pyrimidine;(2R)-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxamide;6-(4-fluorophenyl)-4-[(3S)-3-methylpiperidin-1-yl]thieno[3,2-d]pyrimidine;(2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;(4-nitrophenyl) N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate?

The IUPAC name of tert-butyl (2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxylate;tert-butyl (2R)-2-methylpiperazine-1-carboxylate;4-chloro-6-(4-fluorophenyl)thieno[3,2-d]pyrimidine;(2R)-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxamide;6-(4-fluorophenyl)-4-[(3S)-3-methylpiperidin-1-yl]thieno[3,2-d]pyrimidine;(2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;(4-nitrophenyl) N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate (CID 158927245) is tert-butyl (2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxylate;tert-butyl (2R)-2-methylpiperazine-1-carboxylate;4-chloro-6-(4-fluorophenyl)thieno[3,2-d]pyrimidine;(2R)-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxamide;6-(4-fluorophenyl)-4-[(3S)-3-methylpiperidin-1-yl]thieno[3,2-d]pyrimidine;(2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;(4-nitrophenyl) N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate.

What is the SMILES notation for tert-butyl (2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxylate;tert-butyl (2R)-2-methylpiperazine-1-carboxylate;4-chloro-6-(4-fluorophenyl)thieno[3,2-d]pyrimidine;(2R)-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxamide;6-(4-fluorophenyl)-4-[(3S)-3-methylpiperidin-1-yl]thieno[3,2-d]pyrimidine;(2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;(4-nitrophenyl) N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate?

The canonical SMILES for tert-butyl (2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxylate;tert-butyl (2R)-2-methylpiperazine-1-carboxylate;4-chloro-6-(4-fluorophenyl)thieno[3,2-d]pyrimidine;(2R)-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxamide;6-(4-fluorophenyl)-4-[(3S)-3-methylpiperidin-1-yl]thieno[3,2-d]pyrimidine;(2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;(4-nitrophenyl) N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate is COc1cccc([C@H](C)N=C=O)c1.COc1cccc([C@H](C)NC(=O)N2CCN(c3ncnc4cc(-c5ccc(F)cc5)sc34)C[C@H]2C)c1.C[C@@H]1CN(c2ncnc3cc(-c4ccc(F)cc4)sc23)CCN1C(=O)OC(C)(C)C.C[C@@H]1CNCCN1C(=O)OC(C)(C)C.C[C@H](NC(=O)N1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc23)C[C@H]1C)c1cccc(F)c1.C[C@H](NC(=O)Oc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1.C[C@H]1CCCN(c2ncnc3cc(-c4ccc(F)cc4)sc23)C1.Fc1ccc(-c2cc3ncnc(Cl)c3s2)cc1.

What is the InChIKey of tert-butyl (2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxylate;tert-butyl (2R)-2-methylpiperazine-1-carboxylate;4-chloro-6-(4-fluorophenyl)thieno[3,2-d]pyrimidine;(2R)-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxamide;6-(4-fluorophenyl)-4-[(3S)-3-methylpiperidin-1-yl]thieno[3,2-d]pyrimidine;(2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;(4-nitrophenyl) N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate?

The InChIKey is JIPHABUXNLKLED-OULILOTASA-N. The full InChI is InChI=1S/C27H28FN5O2S.C26H25F2N5OS.C22H25FN4O2S.C18H18FN3S.C15H13FN2O4.C12H6ClFN2S.C10H20N2O2.C10H11NO2/c1-17-15-32(11-12-33(17)27(34)31-18(2)20-5-4-6-22(13-20)35-3)26-25-23(29-16-30-26)14-24(36-25)19-7-9-21(28)10-8-19;1-16-14-32(10-11-33(16)26(34)31-17(2)19-4-3-5-21(28)12-19)25-24-22(29-15-30-25)13-23(35-24)18-6-8-20(27)9-7-18;1-14-12-26(9-10-27(14)21(28)29-22(2,3)4)20-19-17(24-13-25-20)11-18(30-19)15-5-7-16(23)8-6-15;1-12-3-2-8-22(10-12)18-17-15(20-11-21-18)9-16(23-17)13-4-6-14(19)7-5-13;1-10(11-3-2-4-12(16)9-11)17-15(19)22-14-7-5-13(6-8-14)18(20)21;13-12-11-9(15-6-16-12)5-10(17-11)7-1-3-8(14)4-2-7;1-8-7-11-5-6-12(8)9(13)14-10(2,3)4;1-8(11-7-12)9-4-3-5-10(6-9)13-2/h4-10,13-14,16-18H,11-12,15H2,1-3H3,(H,31,34);3-9,12-13,15-17H,10-11,14H2,1-2H3,(H,31,34);5-8,11,13-14H,9-10,12H2,1-4H3;4-7,9,11-12H,2-3,8,10H2,1H3;2-10H,1H3,(H,17,19);1-6H;8,11H,5-7H2,1-4H3;3-6,8H,1-2H3/t17-,18+;16-,17+;14-;12-;10-;;2*8-/m11100.10/s1.

What are the key properties of tert-butyl (2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxylate;tert-butyl (2R)-2-methylpiperazine-1-carboxylate;4-chloro-6-(4-fluorophenyl)thieno[3,2-d]pyrimidine;(2R)-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxamide;6-(4-fluorophenyl)-4-[(3S)-3-methylpiperidin-1-yl]thieno[3,2-d]pyrimidine;(2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;(4-nitrophenyl) N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate?

tert-butyl (2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxylate;tert-butyl (2R)-2-methylpiperazine-1-carboxylate;4-chloro-6-(4-fluorophenyl)thieno[3,2-d]pyrimidine;(2R)-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxamide;6-(4-fluorophenyl)-4-[(3S)-3-methylpiperidin-1-yl]thieno[3,2-d]pyrimidine;(2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;(4-nitrophenyl) N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate has a molecular weight of 2701.64 g/mol, XLogP of 31.82, 21 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxylate;tert-butyl (2R)-2-methylpiperazine-1-carboxylate;4-chloro-6-(4-fluorophenyl)thieno[3,2-d]pyrimidine;(2R)-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxamide;6-(4-fluorophenyl)-4-[(3S)-3-methylpiperidin-1-yl]thieno[3,2-d]pyrimidine;(2R)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;(4-nitrophenyl) N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate is sourced from PubChem (CID 158927245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).