6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(6-bromothieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(6-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;morpholine;4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)morpholine

C78H106Br2ClN19O11S4 — CID 160503416

About 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(6-bromothieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(6-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;morpholine;4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)morpholine

6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(6-bromothieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(6-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;morpholine;4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)morpholine (PubChem CID 160503416) has the molecular formula C78H106Br2ClN19O11S4 and a molecular weight of 1809.36 g/mol. Its IUPAC name is 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(6-bromothieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(6-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;morpholine;4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)morpholine.

Molecular Properties

• Compound Name: 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(6-bromothieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(6-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;morpholine;4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)morpholine
• PubChem CID: 160503416
• Molecular Formula: C78H106Br2ClN19O11S4
• Molecular Weight: 1809.36 g/mol
• Exact Mass: 1805.53
• IUPAC Name: 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(6-bromothieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(6-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;morpholine;4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)morpholine
• SMILES: C1COCCN1.CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(Br)sc23)CC1.CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(N4CCOCC4)sc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.COc1cccc([C@H](C)N=C=O)c1.Clc1ncnc2cc(Br)sc12.c1nc(N2CCCCC2)c2sc(N3CCOCC3)cc2n1
• InChI: InChI=1S/C19H27N5O3S.C15H19BrN4O2S.C15H20N4OS.C10H11NO2.C9H18N2O2.C6H2BrClN2S.C4H9NO/c1-19(2,3)27-18(25)24-6-4-23(5-7-24)17-16-14(20-13-21-17)12-15(28-16)22-8-10-26-11-9-22;1-15(2,3)22-14(21)20-6-4-19(5-7-20)13-12-10(17-9-18-13)8-11(16)23-12;1-2-4-19(5-3-1)15-14-12(16-11-17-15)10-13(21-14)18-6-8-20-9-7-18;1-8(11-7-12)9-4-3-5-10(6-9)13-2;1-9(2,3)13-8(12)11-6-4-10-5-7-11;7-4-1-3-5(11-4)6(8)10-2-9-3;1-3-6-4-2-5-1/h12-13H,4-11H2,1-3H3;8-9H,4-7H2,1-3H3;10-11H,1-9H2;3-6,8H,1-2H3;10H,4-7H2,1-3H3;1-2H;5H,1-4H2/t;;;8-;;;/m...0.../s1
• InChIKey: QSBVNDURFGBXMC-UQBLWKCASA-N
• XLogP: 14.25
• TPSA: 298.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 8
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1809.36
LogP ≤ 5	14.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(6-bromothieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(6-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;morpholine;4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)morpholine?

The IUPAC name of 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(6-bromothieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(6-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;morpholine;4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)morpholine (CID 160503416) is 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(6-bromothieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(6-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;morpholine;4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)morpholine.

What is the SMILES notation for 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(6-bromothieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(6-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;morpholine;4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)morpholine?

The canonical SMILES for 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(6-bromothieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(6-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;morpholine;4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)morpholine is C1COCCN1.CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(Br)sc23)CC1.CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(N4CCOCC4)sc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.COc1cccc([C@H](C)N=C=O)c1.Clc1ncnc2cc(Br)sc12.c1nc(N2CCCCC2)c2sc(N3CCOCC3)cc2n1.

What is the InChIKey of 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(6-bromothieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(6-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;morpholine;4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)morpholine?

The InChIKey is QSBVNDURFGBXMC-UQBLWKCASA-N. The full InChI is InChI=1S/C19H27N5O3S.C15H19BrN4O2S.C15H20N4OS.C10H11NO2.C9H18N2O2.C6H2BrClN2S.C4H9NO/c1-19(2,3)27-18(25)24-6-4-23(5-7-24)17-16-14(20-13-21-17)12-15(28-16)22-8-10-26-11-9-22;1-15(2,3)22-14(21)20-6-4-19(5-7-20)13-12-10(17-9-18-13)8-11(16)23-12;1-2-4-19(5-3-1)15-14-12(16-11-17-15)10-13(21-14)18-6-8-20-9-7-18;1-8(11-7-12)9-4-3-5-10(6-9)13-2;1-9(2,3)13-8(12)11-6-4-10-5-7-11;7-4-1-3-5(11-4)6(8)10-2-9-3;1-3-6-4-2-5-1/h12-13H,4-11H2,1-3H3;8-9H,4-7H2,1-3H3;10-11H,1-9H2;3-6,8H,1-2H3;10H,4-7H2,1-3H3;1-2H;5H,1-4H2/t;;;8-;;;/m...0.../s1.

What are the key properties of 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(6-bromothieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(6-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;morpholine;4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)morpholine?

6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(6-bromothieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(6-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;morpholine;4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)morpholine has a molecular weight of 1809.36 g/mol, XLogP of 14.25, 8 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(6-bromothieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(6-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene;morpholine;4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)morpholine is sourced from PubChem (CID 160503416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).