7-bromo-2-chloro-4-(4-fluorophenyl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(4-fluorophenyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine

C68H66BBr3Cl3F4N13O7S5 — CID 158743653

About 7-bromo-2-chloro-4-(4-fluorophenyl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(4-fluorophenyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine

7-bromo-2-chloro-4-(4-fluorophenyl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(4-fluorophenyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine (PubChem CID 158743653) has the molecular formula C68H66BBr3Cl3F4N13O7S5 and a molecular weight of 1770.57 g/mol. Its IUPAC name is 7-bromo-2-chloro-4-(4-fluorophenyl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(4-fluorophenyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine.

Molecular Properties

• Compound Name: 7-bromo-2-chloro-4-(4-fluorophenyl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(4-fluorophenyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine
• PubChem CID: 158743653
• Molecular Formula: C68H66BBr3Cl3F4N13O7S5
• Molecular Weight: 1770.57 g/mol
• Exact Mass: 1765.05
• IUPAC Name: 7-bromo-2-chloro-4-(4-fluorophenyl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(4-fluorophenyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine
• SMILES: C1COCCN1.CC.CS(=O)(=O)N1CCN(Cc2csc3c(-c4ccc(F)cc4)nc(N4CCOCC4)nc23)CC1.Clc1nc(Cl)c2scc(Br)c2n1.Fc1ccc(-c2nc(Cl)nc3c(Br)csc23)cc1.Fc1ccc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cc1.OB(O)c1ccc(F)cc1
• InChI: InChI=1S/C22H26FN5O3S2.C16H13BrFN3OS.C12H5BrClFN2S.C6H6BFO2.C6HBrCl2N2S.C4H9NO.C2H6/c1-33(29,30)28-8-6-26(7-9-28)14-17-15-32-21-19(16-2-4-18(23)5-3-16)24-22(25-20(17)21)27-10-12-31-13-11-27;17-12-9-23-15-13(10-1-3-11(18)4-2-10)19-16(20-14(12)15)21-5-7-22-8-6-21;13-8-5-18-11-9(16-12(14)17-10(8)11)6-1-3-7(15)4-2-6;8-6-3-1-5(2-4-6)7(9)10;7-2-1-12-4-3(2)10-6(9)11-5(4)8;1-3-6-4-2-5-1;1-2/h2-5,15H,6-14H2,1H3;1-4,9H,5-8H2;1-5H;1-4,9-10H;1H;5H,1-4H2;1-2H3
• InChIKey: IMPPUNVUQVCEQE-UHFFFAOYSA-N
• XLogP: 15.32
• TPSA: 230.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 9
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1770.57
LogP ≤ 5	15.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-chloro-4-(4-fluorophenyl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(4-fluorophenyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine?

The IUPAC name of 7-bromo-2-chloro-4-(4-fluorophenyl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(4-fluorophenyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine (CID 158743653) is 7-bromo-2-chloro-4-(4-fluorophenyl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(4-fluorophenyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine.

What is the SMILES notation for 7-bromo-2-chloro-4-(4-fluorophenyl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(4-fluorophenyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine?

The canonical SMILES for 7-bromo-2-chloro-4-(4-fluorophenyl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(4-fluorophenyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine is C1COCCN1.CC.CS(=O)(=O)N1CCN(Cc2csc3c(-c4ccc(F)cc4)nc(N4CCOCC4)nc23)CC1.Clc1nc(Cl)c2scc(Br)c2n1.Fc1ccc(-c2nc(Cl)nc3c(Br)csc23)cc1.Fc1ccc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cc1.OB(O)c1ccc(F)cc1.

What is the InChIKey of 7-bromo-2-chloro-4-(4-fluorophenyl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(4-fluorophenyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine?

The InChIKey is IMPPUNVUQVCEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O3S2.C16H13BrFN3OS.C12H5BrClFN2S.C6H6BFO2.C6HBrCl2N2S.C4H9NO.C2H6/c1-33(29,30)28-8-6-26(7-9-28)14-17-15-32-21-19(16-2-4-18(23)5-3-16)24-22(25-20(17)21)27-10-12-31-13-11-27;17-12-9-23-15-13(10-1-3-11(18)4-2-10)19-16(20-14(12)15)21-5-7-22-8-6-21;13-8-5-18-11-9(16-12(14)17-10(8)11)6-1-3-7(15)4-2-6;8-6-3-1-5(2-4-6)7(9)10;7-2-1-12-4-3(2)10-6(9)11-5(4)8;1-3-6-4-2-5-1;1-2/h2-5,15H,6-14H2,1H3;1-4,9H,5-8H2;1-5H;1-4,9-10H;1H;5H,1-4H2;1-2H3.

What are the key properties of 7-bromo-2-chloro-4-(4-fluorophenyl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(4-fluorophenyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine?

7-bromo-2-chloro-4-(4-fluorophenyl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(4-fluorophenyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine has a molecular weight of 1770.57 g/mol, XLogP of 15.32, 9 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-chloro-4-(4-fluorophenyl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(4-fluorophenyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;(4-fluorophenyl)boronic acid;4-[4-(4-fluorophenyl)-7-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;morpholine is sourced from PubChem (CID 158743653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).